data_ScNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.15
_cell_length_c   5.71
_cell_angle_alpha   90.0
_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   54.85
_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  0.52  0.58  0.36  1.0
  Ni  Ni0  1  0.0  0.0  0.19  1.0
  Ni  Ni1  1  0.52  0.58  0.59  1.0
  P  P2  1  0.0  0.0  0.42  1.0

data_ScNi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.15
_cell_length_c   5.71
_cell_angle_alpha   90.0
_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   54.85
_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  0.52  0.58  0.36  1.0
  Ni  Ni1  1  0.0  0.0  0.19  1.0
  Ni  Ni2  1  0.52  0.58  0.59  1.0
  P  P3  1  0.0  0.0  0.42  1.0

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