data_NiBiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   6.49
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   53.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiP2
_chemical_formula_sum   'Ni1 Bi1 P2'
_cell_volume   71.75
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.74  0.0  0.19  1.0
  P  P2  1  0.86  0.0  0.43  1.0
  P  P3  1  0.62  0.0  0.94  1.0

data_NiBiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.75
_cell_length_c   6.49
_cell_angle_alpha   99.64
_cell_angle_beta   90.0
_cell_angle_gamma   116.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiP2
_chemical_formula_sum   'Ni1 Bi1 P2'
_cell_volume   71.75
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.26  0.81  1.0
  P  P2  1  0.0  0.14  0.57  1.0
  P  P3  1  0.0  0.38  0.06  1.0

Ni Bi P P