data_ZrBiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiP2
_chemical_formula_sum   'Zr1 Bi1 P2'
_cell_volume   97.39
_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
  Zr  Zr3  1  0.0  0.0  0.95  1.0
  Bi  Bi0  1  0.53  0.0  0.36  1.0
  P  P1  1  0.0  0.0  0.13  1.0
  P  P2  1  0.53  0.0  0.67  1.0

data_ZrBiP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrBiP2
_chemical_formula_sum   'Zr1 Bi1 P2'
_cell_volume   97.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.95  1.0
  Bi  Bi1  1  0.53  0.0  0.36  1.0
  P  P2  1  0.0  0.0  0.13  1.0
  P  P3  1  0.53  0.0  0.67  1.0

Zr Bi P P
Zr Bi P P 0 2 o o + 0 3 o o o 0 3 - o o 1 2 o o o 1 2 + o o 1 3 o o o 