data_[Ce2Sm2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3045]
_cell_length_b [3.9516]
_cell_length_c [6.9378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSmBr4]
_chemical_formula_sum '[Ce2 Sm2 Br8]'
_cell_volume [406.7903]
_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  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.1241  0.0000  0.4581  1.0
  Br  Br3  4  0.1263  0.5000  0.9462  1.0
]