data_ZrTa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.46
_cell_angle_alpha   97.54
_cell_angle_beta   97.54
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Tl
_chemical_formula_sum   'Zr1 Ta2 Tl1'
_cell_volume   82.34
_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  0.9  0.0  0.05  1.0
  Ta  Ta0  1  0.05  0.0  0.07  1.0
  Ta  Ta1  1  0.33  0.0  0.27  1.0
  Tl  Tl2  1  0.58  0.0  0.71  1.0

data_ZrTa2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.22
_cell_length_c   5.46
_cell_angle_alpha   97.54
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Tl
_chemical_formula_sum   'Zr1 Ta2 Tl1'
_cell_volume   82.34
_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  0.1  0.95  1.0
  Ta  Ta1  1  0.0  0.67  0.73  1.0
  Ta  Ta2  1  0.0  0.95  0.93  1.0
  Tl  Tl3  1  0.0  0.42  0.29  1.0

Zr Ta Ta Tl
Zr Ta Ta Tl 0 1 + o o 0 3 o o - 1 2 o o o 1 3 - o - 2 3 o o o 