data_TlCr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2B
_chemical_formula_sum   'Tl1 Cr2 B1'
_cell_volume   55.8
_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  0.45  0.45  0.26  1.0
  Cr  Cr1  1  0.45  0.45  0.33  1.0
  Cr  Cr2  1  0.0  0.0  0.18  1.0
  B  B0  1  0.0  0.0  0.73  1.0

data_TlCr2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCr2B
_chemical_formula_sum   'Tl2 Cr4 B2'
_cell_volume   111.6
_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  0.45  0.0  0.26  1.0
  Cr  Cr1  2  0.0  0.0  0.18  1.0
  Cr  Cr2  2  0.45  0.0  0.33  1.0
  B  B3  2  0.0  0.0  0.73  1.0

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