data_Tl2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   128.59
_cell_angle_beta   128.59
_cell_angle_gamma   75.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrSb
_chemical_formula_sum   'Tl2 Cr1 Sb1'
_cell_volume   104.67
_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  Tl2  1  0.0  0.0  0.43  1.0
  Tl  Tl3  1  0.0  0.43  0.21  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.43  0.0  0.21  1.0

data_Tl2CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   5.61
_cell_angle_alpha   115.71
_cell_angle_beta   115.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrSb
_chemical_formula_sum   'Tl2 Cr1 Sb1'
_cell_volume   104.67
_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  0.22  0.43  0.22  1.0
  Tl  Tl1  1  0.57  0.0  0.57  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.79  0.0  0.22  1.0

Tl Tl Cr Sb