data_[Ce6In6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.0559]
_cell_length_b [4.2023]
_cell_length_c [7.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CeInCu]
_chemical_formula_sum '[Ce6 In6 Cu6]'
_cell_volume [407.3246]
_cell_formula_units_Z [6]
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  0.0422  0.0000  0.7588  1
  Ce  Ce1  2  0.2500  0.0000  0.1332  1
  In  In2  4  0.1267  0.5000  0.4259  1
  In  In3  2  0.2500  0.5000  0.7926  1
  Cu  Cu4  4  0.0914  0.5000  0.0497  1
  Cu  Cu5  2  0.2500  0.0000  0.5498  1
]