data_Zr2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   132.78
_cell_angle_beta   128.62
_cell_angle_gamma   72.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlPt
_chemical_formula_sum   'Zr2 Tl1 Pt1'
_cell_volume   82.19
_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  0.11  0.0  0.06  1.0
  Zr  Zr3  1  0.0  0.29  0.19  1.0
  Tl  Tl1  1  0.0  0.0  0.26  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Zr2TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.57
_cell_length_c   5.27
_cell_angle_alpha   115.69
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlPt
_chemical_formula_sum   'Zr2 Tl1 Pt1'
_cell_volume   82.19
_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  0.0  0.06  0.95  1.0
  Zr  Zr1  1  0.71  0.91  0.91  1.0
  Tl  Tl2  1  0.0  0.26  0.26  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Zr Zr Tl Pt
Zr Zr Tl Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 