data_[Ce2Mn1Co4Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P-4m2]
_cell_length_a [3.9670]
_cell_length_b [3.9670]
_cell_length_c [10.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ce2MnCo4Ge3]
_chemical_formula_sum '[Ce2 Mn1 Co4 Ge3]'
_cell_volume [159.3533]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.7452  1.0
  Mn  Mn1  1  0.5000  0.5000  0.5000  1.0
  Co  Co2  2  0.0000  0.5000  0.3620  1.0
  Co  Co3  1  0.0000  0.0000  0.0000  1.0
  Co  Co4  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge5  2  0.0000  0.5000  0.1268  1.0
  Ge  Ge6  1  0.0000  0.0000  0.5000  1.0
]