data_Fe2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   96.08
_cell_angle_beta   96.08
_cell_angle_gamma   142.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiP
_chemical_formula_sum   'Fe8 Ni4 P4'
_cell_volume   176.64
_cell_formula_units_Z   4
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  0.96  0.3  0.01  1.0
  Fe  Fe1  1  0.53  0.19  0.82  1.0
  Fe  Fe2  1  0.79  0.53  0.18  1.0
  Fe  Fe3  1  0.7  0.96  0.37  1.0
  Fe  Fe4  1  0.27  0.74  0.93  1.0
  Fe  Fe5  1  0.22  0.75  0.11  1.0
  Fe  Fe6  1  0.25  0.22  0.26  1.0
  Fe  Fe7  1  0.25  0.27  0.07  1.0
  Ni  Ni8  1  0.97  0.44  0.27  1.0
  Ni  Ni9  1  0.52  0.05  0.09  1.0
  Ni  Ni10  1  0.93  0.52  0.91  1.0
  Ni  Ni11  1  0.56  0.97  0.1  1.0
  P  P12  1  0.9  0.87  0.94  1.0
  P  P13  1  0.6  0.62  0.12  1.0
  P  P14  1  0.87  0.09  0.06  1.0
  P  P15  1  0.62  0.4  0.25  1.0

data_Fe2NiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   83.92
_cell_angle_beta   71.0
_cell_angle_gamma   71.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiP
_chemical_formula_sum   'Fe8 Ni4 P4'
_cell_volume   176.64
_cell_formula_units_Z   4
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  0.19  0.34  0.18  1.0
  Fe  Fe1  1  0.22  0.03  0.74  1.0
  Fe  Fe2  1  0.27  0.97  0.93  1.0
  Fe  Fe3  1  0.3  0.66  0.99  1.0
  Fe  Fe4  1  0.53  0.26  0.82  1.0
  Fe  Fe5  1  0.74  0.53  0.07  1.0
  Fe  Fe6  1  0.75  0.47  0.89  1.0
  Fe  Fe7  1  0.96  0.74  0.63  1.0
  Ni  Ni8  1  0.05  0.47  0.91  1.0
  Ni  Ni9  1  0.44  0.53  0.73  1.0
  Ni  Ni10  1  0.52  0.41  0.09  1.0
  Ni  Ni11  1  0.97  0.59  0.9  1.0
  P  P12  1  0.09  0.78  0.94  1.0
  P  P13  1  0.4  0.22  0.75  1.0
  P  P14  1  0.62  0.98  0.88  1.0
  P  P15  1  0.87  0.02  0.06  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Ni Ni Ni Ni P P P P