data_NiSnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   130.59
_cell_angle_beta   130.59
_cell_angle_gamma   72.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSnPt2
_chemical_formula_sum   'Ni1 Sn1 Pt2'
_cell_volume   62.91
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.01  0.0  0.94  1.0
  Pt  Pt1  1  0.0  0.01  0.94  1.0
  Pt  Pt2  1  0.0  0.0  0.88  1.0

data_NiSnPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   126.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSnPt2
_chemical_formula_sum   'Ni2 Sn2 Pt4'
_cell_volume   125.81
_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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.06  0.0  0.07  1.0
  Pt  Pt2  2  0.06  0.0  0.07  1.0
  Pt  Pt3  2  0.12  0.0  0.12  1.0

Ni Sn Pt Pt