data_[Ga4P4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8537]
_cell_length_b [3.9579]
_cell_length_c [12.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaPBr]
_chemical_formula_sum '[Ga4 P4 Br4]'
_cell_volume [324.7587]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  2  0.1667  0.0000  0.8149  1.0
  Ga  Ga1  2  0.3011  0.0000  0.1366  1.0
  P  P2  2  0.3613  0.5000  0.8823  1.0
  P  P3  2  0.4397  0.5000  0.0692  1.0
  Br  Br4  2  0.0878  0.0000  0.6232  1.0
  Br  Br5  2  0.3793  0.0000  0.3284  1.0
]