data_NaNiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   156.24
_cell_angle_beta   156.24
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiPt
_chemical_formula_sum   'Na1 Ni1 Pt1'
_cell_volume   48.88
_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
  Na  Na0  1  0.0  0.0  0.83  1.0
  Ni  Ni1  1  0.0  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.0  0.79  1.0

data_NaNiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNiPt
_chemical_formula_sum   'Na2 Ni2 Pt2'
_cell_volume   97.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.33  0.5  0.83  1.0
  Ni  Ni1  2  0.04  0.0  0.04  1.0
  Pt  Pt2  2  0.29  0.5  0.79  1.0

Na Ni Pt
Na Ni Pt 0 2 o o o 0 1 o o + 1 2 o o - 