data_[As4P2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8416]
_cell_length_b [3.6507]
_cell_length_c [7.1156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [As2PBr]
_chemical_formula_sum '[As4 P2 Br2]'
_cell_volume [184.6702]
_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  4  0.2426  0.0000  0.3414  1
  P  P1  2  0.0000  0.0000  0.5000  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
]