data_ZrTl2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   148.28
_cell_angle_beta   126.21
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Pt
_chemical_formula_sum   'Zr1 Tl2 Pt1'
_cell_volume   87.68
_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  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.68  0.34  1.0
  Tl  Tl2  1  0.62  0.0  0.7  1.0
  Pt  Pt0  1  0.0  0.0  0.04  1.0

data_ZrTl2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.37
_cell_length_c   5.93
_cell_angle_alpha   116.9
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Pt
_chemical_formula_sum   'Zr1 Tl2 Pt1'
_cell_volume   87.68
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.7  0.07  1.0
  Tl  Tl2  1  0.32  0.66  0.66  1.0
  Pt  Pt3  1  0.0  0.04  0.04  1.0

Zr Tl Tl Pt