data_NiSbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbP
_chemical_formula_sum   'Ni2 Sb2 P2'
_cell_volume   104.65
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.76  1.0
  Sb  Sb4  1  0.0  0.7  0.14  1.0
  Sb  Sb5  1  0.34  0.35  0.38  1.0
  P  P2  1  0.0  0.7  0.38  1.0
  P  P3  1  0.34  0.35  0.14  1.0

data_NiSbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSbP
_chemical_formula_sum   'Ni2 Sb2 P2'
_cell_volume   104.65
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.76  1.0
  Sb  Sb2  1  0.0  0.7  0.14  1.0
  Sb  Sb3  1  0.34  0.35  0.38  1.0
  P  P4  1  0.0  0.7  0.38  1.0
  P  P5  1  0.34  0.35  0.14  1.0

Ni Ni Sb Sb P P
Ni Ni Sb Sb P P 0 1 o o - 2 4 o o o 3 5 o o o 