data_Zr2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   8.55
_cell_angle_alpha   24.34
_cell_angle_beta   24.34
_cell_angle_gamma   24.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlPt
_chemical_formula_sum   'Zr2 Tl1 Pt1'
_cell_volume   93.39
_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  0.0  0.31  1.0
  Zr  Zr3  1  0.0  0.0  0.57  1.0
  Tl  Tl1  1  0.0  0.0  0.44  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Zr2TlPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.25
_cell_length_b   3.61
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2TlPt
_chemical_formula_sum   'Zr4 Tl2 Pt2'
_cell_volume   186.78
_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  0.0  0.0  0.43  1.0
  Zr  Zr1  2  0.0  0.0  0.69  1.0
  Tl  Tl2  2  0.0  0.0  0.56  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0

Zr Zr Tl Pt