data_[Mn4Co20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [5.9300]
_cell_length_b [5.9300]
_cell_length_c [13.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [MnCo5Ge3]
_chemical_formula_sum '[Mn4 Co20 Ge12]'
_cell_volume [470.5050]
_cell_formula_units_Z [4]
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  0.5000  0.2500  1
  Co  Co1  16  0.2376  0.2624  0.3490  1
  Co  Co2  4  0.0000  0.0000  0.0000  1
  Ge  Ge3  8  0.1366  0.3634  0.0000  1
  Ge  Ge4  4  0.0000  0.0000  0.2500  1
]