data_[Mn10Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8479]
_cell_length_b [9.0504]
_cell_length_c [3.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn5Si]
_chemical_formula_sum '[Mn10 Si2]'
_cell_volume [133.9177]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
[
  Mn  Mn0  4  0.0000  0.1681  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3322  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
]