data_[Ba1Ce1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6097]
_cell_length_b [5.5703]
_cell_length_c [5.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaCeSe3]
_chemical_formula_sum '[Ba1 Ce1 Se3]'
_cell_volume [175.1037]
_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
[
  Ba  Ba0  1  0.0573  0.0000  0.9170  1.0
  Ce  Ce1  1  0.4966  0.5000  0.5185  1.0
  Se  Se2  1  0.4444  0.5000  0.0229  1.0
  Se  Se3  1  0.5175  0.0000  0.5640  1.0
  Se  Se4  1  0.9942  0.5000  0.5377  1.0
]