# generated using pymatgen
data_MnSi
_symmetry_space_group_name_H-M   P2_13
_cell_length_a   4.48424518
_cell_length_b   4.48424518
_cell_length_c   4.48424518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   198
_chemical_formula_structural   MnSi
_chemical_formula_sum   'Mn4 Si4'
_cell_volume   90.17124167
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+1/2, -y, z+1/2'
  3  'x+1/2, -y+1/2, -z'
  4  '-x, y+1/2, -z+1/2'
  5  'z, x, y'
  6  'z+1/2, -x+1/2, -y'
  7  '-z, x+1/2, -y+1/2'
  8  '-z+1/2, -x, y+1/2'
  9  'y, z, x'
  10  '-y, z+1/2, -x+1/2'
  11  '-y+1/2, -z, x+1/2'
  12  'y+1/2, -z+1/2, -x'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Mn4+  4.0
  Si4-  -4.0
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn4+  Mn0  4  0.13645961  0.86354039  0.36354039  1
  Si4-  Si1  4  0.15421523  0.65421523  0.84578477  1
