data_TlBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   133.6
_cell_angle_beta   133.6
_cell_angle_gamma   67.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBMo2
_chemical_formula_sum   'Tl1 B1 Mo2'
_cell_volume   61.87
_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  0.94  0.0  0.05  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.94  0.05  1.0
  Mo  Mo2  1  0.0  0.0  0.1  1.0

data_TlBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.93
_cell_angle_alpha   113.2
_cell_angle_beta   113.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBMo2
_chemical_formula_sum   'Tl1 B1 Mo2'
_cell_volume   61.87
_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  0.05  0.11  0.11  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.1  0.1  0.1  1.0
  Mo  Mo3  1  0.11  0.05  0.11  1.0

Tl B Mo Mo