data_[Ce1Ta1Sb2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3230]
_cell_length_b [4.3230]
_cell_length_c [8.8116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CeTa(SbTe)2]
_chemical_formula_sum '[Ce1 Ta1 Sb2 Te2]'
_cell_volume [164.6720]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.7344  1
  Ta  Ta1  1  0.5000  0.5000  0.2544  1
  Sb  Sb2  2  0.0000  0.5000  0.0289  1
  Te  Te3  1  0.0000  0.0000  0.3582  1
  Te  Te4  1  0.5000  0.5000  0.5952  1
]