data_ZrTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Te
_chemical_formula_sum   'Zr1 Tl2 Te1'
_cell_volume   104.01
_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  0.0  0.72  1.0
  Tl  Tl2  1  0.0  0.35  0.36  1.0
  Te  Te0  1  0.35  0.0  0.36  1.0

data_ZrTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.77
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Te
_chemical_formula_sum   'Zr1 Tl2 Te1'
_cell_volume   104.01
_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  0.01  0.36  0.01  1.0
  Tl  Tl2  1  0.72  0.72  0.72  1.0
  Te  Te3  1  0.36  0.01  0.01  1.0

Zr Tl Tl Te