data_ZnPBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPBr2
_chemical_formula_sum   'Zn1 P1 Br2'
_cell_volume   98.84
_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
  Zn  Zn3  1  0.34  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.34  0.02  0.9  1.0
  Br  Br1  1  0.34  0.98  0.9  1.0

data_ZnPBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   98.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPBr2
_chemical_formula_sum   'Zn1 P1 Br2'
_cell_volume   98.84
_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
  Zn  Zn0  1  0.0  0.34  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.9  0.34  0.02  1.0
  Br  Br3  1  0.9  0.34  0.98  1.0

Zn P Br Br