data_[As1Br2Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7512]
_cell_length_b [7.8957]
_cell_length_c [8.0128]
_cell_angle_alpha [90.7768]
_cell_angle_beta [117.8796]
_cell_angle_gamma [91.0461]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsBr2Cl9]
_chemical_formula_sum '[As1 Br2 Cl9]'
_cell_volume [433.2688]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Br  Br1  2  0.2553  0.7863  0.7619  1.0
  Cl  Cl2  2  0.1399  0.0493  0.8088  1.0
  Cl  Cl3  2  0.2020  0.5432  0.2605  1.0
  Cl  Cl4  2  0.3713  0.5118  0.7247  1.0
  Cl  Cl5  2  0.4328  0.2207  0.4755  1.0
  Cl  Cl6  1  0.0000  0.0000  0.0000  1.0
]