data_[Ce8As2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.4488]
_cell_length_b [9.7738]
_cell_length_c [6.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce4AsCl5]
_chemical_formula_sum '[Ce8 As2 Cl10]'
_cell_volume [566.8400]
_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  0.0000  0.2436  0.8966  1
  Ce  Ce1  4  0.1649  0.5000  0.4753  1
  As  As2  2  0.0000  0.0000  0.6723  1
  Cl  Cl3  8  0.2009  0.1959  0.2502  1
  Cl  Cl4  2  0.0000  0.5000  0.1094  1
]