data_[Mn20Cu2Ge10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [9.3888]
_cell_length_b [9.3888]
_cell_length_c [4.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [97]
_chemical_formula_structural [Mn10CuGe5]
_chemical_formula_sum '[Mn20 Cu2 Ge10]'
_cell_volume [424.7772]
_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  16  0.0782  0.2252  0.7478  1.0
  Mn  Mn1  4  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  8  0.1620  0.3380  0.2500  1.0
  Ge  Ge4  2  0.0000  0.0000  0.5000  1.0
]