data_[Ce2Re2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5386]
_cell_length_b [4.4456]
_cell_length_c [8.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeReGe2]
_chemical_formula_sum '[Ce2 Re2 Ge4]'
_cell_volume [165.8719]
_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
[
  Ce  Ce0  2  0.3615  0.7500  0.7864  1
  Re  Re1  2  0.1013  0.7500  0.3810  1
  Ge  Ge2  2  0.0834  0.7500  0.0921  1
  Ge  Ge3  2  0.3248  0.2500  0.4906  1
]