data_ScNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   47.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2P
_chemical_formula_sum   'Sc1 Ni2 P1'
_cell_volume   56.63
_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
  Sc  Sc3  1  0.9  0.0  0.33  1.0
  Ni  Ni0  1  0.0  0.0  0.83  1.0
  Ni  Ni1  1  0.9  0.0  0.67  1.0
  P  P2  1  0.0  0.0  0.71  1.0

data_ScNi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.8
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   113.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2P
_chemical_formula_sum   'Sc1 Ni2 P1'
_cell_volume   56.63
_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
  Sc  Sc0  1  0.67  0.9  0.67  1.0
  Ni  Ni1  1  0.17  0.0  0.17  1.0
  Ni  Ni2  1  0.33  0.9  0.33  1.0
  P  P3  1  0.29  0.0  0.29  1.0

Sc Ni Ni P
Sc Ni Ni P 0 3 + o o 0 2 o o o 1 3 o o o 2 3 + o o 