data_P2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   150.77
_cell_angle_beta   144.82
_cell_angle_gamma   46.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2AuBr
_chemical_formula_sum   'P2 Au1 Br1'
_cell_volume   85.53
_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
  P  P2  1  0.7  0.0  0.4  1.0
  P  P3  1  0.0  0.0  0.98  1.0
  Au  Au0  1  0.0  0.03  0.25  1.0
  Br  Br1  1  0.0  0.0  0.75  1.0

data_P2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.07
_cell_length_c   6.73
_cell_angle_alpha   107.59
_cell_angle_beta   104.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2AuBr
_chemical_formula_sum   'P2 Au1 Br1'
_cell_volume   85.53
_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
  P  P0  1  0.02  0.02  0.02  1.0
  P  P1  1  0.29  0.6  0.29  1.0
  Au  Au2  1  0.75  0.79  0.79  1.0
  Br  Br3  1  0.25  0.25  0.25  1.0

P P Au Br