data_FeNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.17
_cell_angle_alpha   103.37
_cell_angle_beta   103.37
_cell_angle_gamma   42.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiP2
_chemical_formula_sum   'Fe1 Ni1 P2'
_cell_volume   47.44
_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
  Fe  Fe0  1  0.28  0.0  0.84  1.0
  Ni  Ni1  1  0.24  0.0  0.36  1.0
  P  P2  1  0.87  0.0  0.55  1.0
  P  P3  1  0.58  0.0  0.34  1.0

data_FeNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.17
_cell_length_c   4.19
_cell_angle_alpha   103.37
_cell_angle_beta   111.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiP2
_chemical_formula_sum   'Fe1 Ni1 P2'
_cell_volume   47.44
_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
  Fe  Fe0  1  0.0  0.84  0.28  1.0
  Ni  Ni1  1  0.0  0.36  0.24  1.0
  P  P2  1  0.0  0.34  0.58  1.0
  P  P3  1  0.0  0.55  0.87  1.0

Fe Ni P P