data_Tl2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   135.34
_cell_angle_beta   135.34
_cell_angle_gamma   65.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BMo
_chemical_formula_sum   'Tl2 B1 Mo1'
_cell_volume   73.14
_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  0.48  1.0
  Tl  Tl3  1  0.0  0.02  0.24  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.02  0.0  0.24  1.0

data_Tl2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.32
_cell_angle_alpha   112.33
_cell_angle_beta   112.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BMo
_chemical_formula_sum   'Tl2 B1 Mo1'
_cell_volume   73.14
_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  0.52  0.0  0.52  1.0
  Tl  Tl1  1  0.78  0.02  0.78  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.76  0.0  0.78  1.0

Tl Tl B Mo
Tl Tl B Mo 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 