data_[Ce4Co4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5775]
_cell_length_b [4.5180]
_cell_length_c [4.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCoGe]
_chemical_formula_sum '[Ce4 Co4 Ge4]'
_cell_volume [230.9666]
_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
[
  Ce  Ce0  4  0.1300  0.5000  0.8120  1.0
  Co  Co1  4  0.1699  0.5000  0.2617  1.0
  Ge  Ge2  4  0.1078  0.0000  0.3829  1.0
]