data_[Ce10Te8As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9218]
_cell_length_b [9.9218]
_cell_length_c [6.2877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce5Te4As]
_chemical_formula_sum '[Ce10 Te8 As2]'
_cell_volume [618.9800]
_cell_formula_units_Z [2]
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  8  0.0984  0.7166  0.0000  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Te  Te2  8  0.0935  0.6961  0.5000  1
  As  As3  2  0.0000  0.0000  0.0000  1
]