data_[Ce2In2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8831]
_cell_length_b [11.4993]
_cell_length_c [8.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeInBr3]
_chemical_formula_sum '[Ce2 In2 Br6]'
_cell_volume [378.4189]
_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  0.5000  0.0000  0.0000  1
  In  In1  2  0.0699  0.7500  0.5308  1
  Br  Br2  4  0.0528  0.5340  0.2629  1
  Br  Br3  2  0.4391  0.7500  0.9206  1
]