data_[Ce4Cu4Sn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5215]
_cell_length_b [4.4330]
_cell_length_c [12.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeCuSnTe3]
_chemical_formula_sum '[Ce4 Cu4 Sn4 Te12]'
_cell_volume [702.0769]
_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  0.0321  0.7500  0.8104  1
  Cu  Cu1  4  0.2344  0.2500  0.7094  1
  Sn  Sn2  4  0.1962  0.7500  0.5177  1
  Te  Te3  4  0.0426  0.2500  0.6247  1
  Te  Te4  4  0.1097  0.7500  0.0617  1
  Te  Te5  4  0.2090  0.2500  0.3132  1
]