data_Tl2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   150.16
_cell_angle_beta   133.29
_cell_angle_gamma   56.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnCr
_chemical_formula_sum   'Tl2 Zn1 Cr1'
_cell_volume   89.47
_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
  Tl  Tl1  1  0.0  0.49  0.23  1.0
  Tl  Tl2  1  0.0  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.49  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.11  1.0

data_Tl2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.99
_cell_length_c   6.29
_cell_angle_alpha   113.36
_cell_angle_beta   104.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ZnCr
_chemical_formula_sum   'Tl2 Zn1 Cr1'
_cell_volume   89.47
_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
  Tl  Tl0  1  0.12  0.12  0.12  1.0
  Tl  Tl1  1  0.77  0.27  0.27  1.0
  Zn  Zn2  1  0.59  0.08  0.08  1.0
  Cr  Cr3  1  0.89  0.89  0.89  1.0

Tl Tl Zn Cr
Tl Tl Zn Cr 0 2 o o o 0 1 o o - 1 2 o o + 1 2 o - o 1 3 o o + 2 3 o o o 