data_[La8As2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9802]
_cell_length_b [4.2634]
_cell_length_c [8.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4AsBr5]
_chemical_formula_sum '[La8 As2 Br10]'
_cell_volume [693.4501]
_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
[
  La  La0  4  0.0004  0.0000  0.2260  1.0
  La  La1  4  0.1549  0.5000  0.0837  1.0
  As  As2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1671  0.0000  0.3360  1.0
  Br  Br4  4  0.1707  0.0000  0.8341  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]