data_[Ce4In4Cu4]
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 [C2/m]
_cell_length_a [11.6358]
_cell_length_b [4.6363]
_cell_length_c [4.8261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeInCu]
_chemical_formula_sum '[Ce4 In4 Cu4]'
_cell_volume [258.8280]
_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  0.0966  0.0000  0.7051  1.0
  In  In1  4  0.1126  0.5000  0.2210  1.0
  Cu  Cu2  4  0.2429  0.0000  0.2314  1.0
]