data_[Co12Ge4C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6541]
_cell_length_b [3.6541]
_cell_length_c [14.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Co12Ge4C]
_chemical_formula_sum '[Co12 Ge4 C1]'
_cell_volume [188.7635]
_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
[
  Co  Co0  4  0.0000  0.5000  0.2555  1.0
  Co  Co1  2  0.0000  0.5000  0.0000  1.0
  Co  Co2  2  0.0000  0.5000  0.5000  1.0
  Co  Co3  2  0.5000  0.5000  0.1313  1.0
  Co  Co4  2  0.5000  0.5000  0.3775  1.0
  Ge  Ge5  2  0.0000  0.0000  0.1368  1.0
  Ge  Ge6  2  0.0000  0.0000  0.3789  1.0
  C  C7  1  0.5000  0.5000  0.0000  1.0
]