data_Tl2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   140.64
_cell_angle_beta   140.64
_cell_angle_gamma   56.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiMo
_chemical_formula_sum   'Tl2 Bi1 Mo1'
_cell_volume   107.56
_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  0.18  0.0  0.84  1.0
  Tl  Tl3  1  0.0  0.18  0.84  1.0
  Bi  Bi0  1  0.0  0.0  0.68  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Tl2BiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   118.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2BiMo
_chemical_formula_sum   'Tl4 Bi2 Mo2'
_cell_volume   215.11
_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  4  0.25  0.41  0.66  1.0
  Bi  Bi1  2  0.18  0.5  0.68  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Tl Tl Bi Mo