data_MnNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.78
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   97.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiP2
_chemical_formula_sum   'Mn1 Ni1 P2'
_cell_volume   46.53
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.61  0.0  0.96  1.0
  P  P2  1  0.63  0.39  0.54  1.0
  P  P3  1  0.43  0.39  0.37  1.0

data_MnNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.83
_cell_length_c   5.96
_cell_angle_alpha   97.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiP2
_chemical_formula_sum   'Mn1 Ni1 P2'
_cell_volume   46.53
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.39  0.04  1.0
  P  P2  1  0.61  0.37  0.46  1.0
  P  P3  1  0.61  0.57  0.63  1.0

Mn Ni P P
Mn Ni P P 0 1 - o - 2 3 o o o 