data_Tl3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32
_cell_length_b   10.32
_cell_length_c   10.32
_cell_angle_alpha   19.37
_cell_angle_beta   19.37
_cell_angle_gamma   19.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Cr
_chemical_formula_sum   'Tl3 Cr1'
_cell_volume   105.62
_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  0.0  0.46  1.0
  Tl  Tl2  1  0.0  0.0  0.18  1.0
  Tl  Tl3  1  0.0  0.0  0.9  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Tl3Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   3.47
_cell_length_c   10.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3Cr
_chemical_formula_sum   'Tl6 Cr2'
_cell_volume   211.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.82  1.0
  Tl  Tl1  2  -0.0  0.0  0.1  1.0
  Tl  Tl2  2  0.0  0.0  0.54  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Tl Tl Tl Cr