data_[Ce4In4Cu4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.3276]
_cell_length_b [4.2395]
_cell_length_c [12.0064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeInCuTe3]
_chemical_formula_sum '[Ce4 In4 Cu4 Te12]'
_cell_volume [780.1986]
_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  0.0116  0.7500  0.6732  1
  In  In1  4  0.2226  0.7500  0.9580  1
  Cu  Cu2  4  0.0091  0.2500  0.9105  1
  Te  Te3  4  0.0992  0.2500  0.1001  1
  Te  Te4  4  0.1188  0.7500  0.4418  1
  Te  Te5  4  0.1448  0.2500  0.7725  1
]