data_[Ce10As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.3925]
_cell_length_b [9.3925]
_cell_length_c [5.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce5AsSe4]
_chemical_formula_sum '[Ce10 As2 Se8]'
_cell_volume [523.7659]
_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  0.0994  0.2978  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0997  0.3002  0.5000  1.0
]