data_Zr2TiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   144.18
_cell_angle_beta   132.59
_cell_angle_gamma   60.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiPt
_chemical_formula_sum   'Zr2 Ti1 Pt1'
_cell_volume   76.88
_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
  Zr  Zr2  1  0.0  0.27  0.86  1.0
  Zr  Zr3  1  0.0  0.0  0.53  1.0
  Ti  Ti1  1  0.0  0.0  0.17  1.0
  Pt  Pt0  1  0.0  0.27  0.05  1.0

data_Zr2TiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.54
_cell_length_c   5.65
_cell_angle_alpha   113.7
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TiPt
_chemical_formula_sum   'Zr2 Ti1 Pt1'
_cell_volume   76.88
_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
  Zr  Zr0  1  0.14  0.41  0.41  1.0
  Zr  Zr1  1  0.47  0.47  0.47  1.0
  Ti  Ti2  1  0.83  0.83  0.83  1.0
  Pt  Pt3  1  0.95  0.22  0.22  1.0

Zr Zr Ti Pt