data_Tl2CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   45.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrB
_chemical_formula_sum   'Tl2 Cr1 B1'
_cell_volume   75.61
_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  0.06  1.0
  Tl  Tl3  1  0.77  0.0  0.12  1.0
  Cr  Cr1  1  0.77  0.0  0.1  1.0
  B  B0  1  0.0  0.0  0.1  1.0

data_Tl2CrB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.23
_cell_length_c   5.46
_cell_angle_alpha   112.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrB
_chemical_formula_sum   'Tl2 Cr1 B1'
_cell_volume   75.61
_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  0.0  0.06  0.06  1.0
  Tl  Tl1  1  0.23  0.12  0.12  1.0
  Cr  Cr2  1  0.23  0.1  0.1  1.0
  B  B3  1  0.0  0.1  0.1  1.0

Tl Tl Cr B