data_TlCoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   152.57
_cell_angle_beta   152.57
_cell_angle_gamma   39.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoB
_chemical_formula_sum   'Tl1 Co1 B1'
_cell_volume   46.4
_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  0.74  1.0
  Co  Co1  1  0.0  0.0  0.67  1.0
  B  B0  1  0.0  0.0  0.94  1.0

data_TlCoB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCoB
_chemical_formula_sum   'Tl2 Co2 B2'
_cell_volume   92.8
_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  0.26  1.0
  Co  Co1  2  0.0  0.0  0.33  1.0
  B  B2  2  0.0  0.0  0.06  1.0

Tl Co B
Tl Co B 0 1 o o o 0 2 o o o 