data_ZrNiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   4.95
_cell_length_c   3.28
_cell_angle_alpha   72.14
_cell_angle_beta   69.5
_cell_angle_gamma   38.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiPt
_chemical_formula_sum   'Zr1 Ni1 Pt1'
_cell_volume   47.37
_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
  Zr  Zr2  1  0.23  0.4  0.01  1.0
  Ni  Ni0  1  0.23  0.4  0.79  1.0
  Pt  Pt1  1  0.23  0.4  0.88  1.0

data_ZrNiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   8.84
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   132.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNiPt
_chemical_formula_sum   'Zr2 Ni2 Pt2'
_cell_volume   94.74
_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
  Zr  Zr0  2  0.23  0.0  0.24  1.0
  Ni  Ni1  2  0.23  0.0  0.02  1.0
  Pt  Pt2  2  0.23  0.0  0.11  1.0

Zr Ni Pt
Zr Ni Pt 0 2 o o - 1 2 o o o 