data_Zr2Tl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   151.12
_cell_angle_beta   151.12
_cell_angle_gamma   41.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Tl2Te
_chemical_formula_sum   'Zr2 Tl2 Te1'
_cell_volume   127.86
_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  0.14  1.0
  Zr  Zr4  1  0.0  0.0  0.19  1.0
  Tl  Tl1  1  0.0  0.04  0.83  1.0
  Tl  Tl2  1  0.04  0.0  0.83  1.0
  Te  Te0  1  0.0  0.0  0.0  1.0

data_Zr2Tl2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2Tl2Te
_chemical_formula_sum   'Zr4 Tl4 Te2'
_cell_volume   255.71
_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  0.81  1.0
  Zr  Zr1  2  0.0  0.0  0.86  1.0
  Tl  Tl2  4  0.02  0.02  0.21  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Zr Zr Tl Tl Te