data_TlCr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   38.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Sb
_chemical_formula_sum   'Tl1 Cr2 Sb1'
_cell_volume   72.03
_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  Tl3  1  0.03  0.0  0.22  1.0
  Cr  Cr0  1  0.0  0.0  0.3  1.0
  Cr  Cr1  1  0.03  0.0  0.5  1.0
  Sb  Sb2  1  0.0  0.0  0.33  1.0

data_TlCr2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.05
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   109.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Sb
_chemical_formula_sum   'Tl1 Cr2 Sb1'
_cell_volume   72.03
_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  0.78  0.03  0.78  1.0
  Cr  Cr1  1  0.5  0.03  0.5  1.0
  Cr  Cr2  1  0.7  0.0  0.7  1.0
  Sb  Sb3  1  0.67  0.0  0.67  1.0

Tl Cr Cr Sb