data_[La12As4Se2Br6]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5363]
_cell_length_b [13.0634]
_cell_length_c [7.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6As2SeBr3]
_chemical_formula_sum '[La12 As4 Se2 Br6]'
_cell_volume [706.5869]
_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  8  0.2415  0.1677  0.2220  1
  La  La1  4  0.2393  0.5000  0.2224  1
  As  As2  4  0.0000  0.3336  0.0000  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1679  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]