data_[As6W4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4513]
_cell_length_b [21.0618]
_cell_length_c [15.1083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [As3W2Br3]
_chemical_formula_sum '[As6 W4 Br6]'
_cell_volume [1098.2274]
_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
[
  As  As0  2  0.0000  0.3702  0.9637  1
  As  As1  2  0.5000  0.3746  0.0772  1
  As  As2  1  0.0000  0.5000  0.9350  1
  As  As3  1  0.5000  0.5000  0.0541  1
  W  W4  2  0.0000  0.4395  0.4284  1
  W  W5  2  0.5000  0.4393  0.5570  1
  Br  Br6  2  0.0000  0.3565  0.6288  1
  Br  Br7  2  0.5000  0.3561  0.3583  1
  Br  Br8  1  0.0000  0.5000  0.2723  1
  Br  Br9  1  0.5000  0.5000  0.7116  1
]