data_[Mn10Si3Ge3]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0187]
_cell_length_b [7.0187]
_cell_length_c [4.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Mn10(SiGe)3]
_chemical_formula_sum '[Mn10 Si3 Ge3]'
_cell_volume [208.4041]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.7442  1.0
  Mn  Mn1  3  0.0000  0.2435  0.0000  1.0
  Mn  Mn2  3  0.0000  0.7569  0.5000  1.0
  Si  Si3  3  0.0000  0.3950  0.5000  1.0
  Ge  Ge4  3  0.0000  0.6018  0.0000  1.0
]