data_AgP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.52
_cell_angle_alpha   95.15
_cell_angle_beta   95.15
_cell_angle_gamma   42.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgP2Br
_chemical_formula_sum   'Ag1 P2 Br1'
_cell_volume   95.09
_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
  Ag  Ag0  1  0.63  0.0  0.23  1.0
  P  P2  1  0.1  0.0  0.63  1.0
  P  P3  1  0.41  0.0  0.41  1.0
  Br  Br1  1  0.93  0.0  0.97  1.0

data_AgP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.65
_cell_length_c   6.52
_cell_angle_alpha   95.15
_cell_angle_beta   90.0
_cell_angle_gamma   111.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgP2Br
_chemical_formula_sum   'Ag1 P2 Br1'
_cell_volume   95.09
_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
  Ag  Ag0  1  0.0  0.37  0.77  1.0
  P  P1  1  0.0  0.59  0.59  1.0
  P  P2  1  0.0  0.9  0.37  1.0
  Br  Br3  1  0.0  0.07  0.03  1.0

Ag P P Br