data_NiAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.63
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsPt2
_chemical_formula_sum   'Ni1 As1 Pt2'
_cell_volume   58.87
_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  Ni1  1  0.0  0.0  0.2  1.0
  As  As0  1  0.43  0.81  0.98  1.0
  Pt  Pt2  1  0.43  0.81  0.52  1.0
  Pt  Pt3  1  0.0  0.0  0.47  1.0

data_NiAsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.63
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsPt2
_chemical_formula_sum   'Ni1 As1 Pt2'
_cell_volume   58.87
_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  0.2  1.0
  As  As1  1  0.43  0.81  0.98  1.0
  Pt  Pt2  1  0.0  0.0  0.47  1.0
  Pt  Pt3  1  0.43  0.81  0.52  1.0

Ni As Pt Pt
Ni As Pt Pt 0 3 o o o 0 1 o - - 0 1 - - - 2 3 o + o 