data_[Ce4As2Se10]
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 [Pbam]
_cell_length_a [7.9977]
_cell_length_b [11.4860]
_cell_length_c [4.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ce2AsSe5]
_chemical_formula_sum '[Ce4 As2 Se10]'
_cell_volume [382.2545]
_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  4  0.0769  0.3282  0.5000  1
  As  As1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1458  0.7936  0.0000  1
  Se  Se3  4  0.1911  0.0711  0.5000  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
]