data_[La12As4Pt2Br6]
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
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3403]
_cell_length_b [4.2499]
_cell_length_c [9.0030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6As2PtBr3]
_chemical_formula_sum '[La12 As4 Pt2 Br6]'
_cell_volume [719.7787]
_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  0.0062  0.0000  0.2185  1.0
  La  La1  4  0.1645  0.5000  0.0999  1.0
  La  La2  4  0.1746  0.5000  0.5672  1.0
  As  As3  4  0.1666  0.0000  0.3334  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1645  0.0000  0.8278  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]