data_TlGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   143.73
_cell_angle_beta   128.79
_cell_angle_gamma   64.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaMo2
_chemical_formula_sum   'Tl1 Ga1 Mo2'
_cell_volume   71.09
_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  0.68  0.0  0.54  1.0
  Ga  Ga0  1  0.0  0.0  0.98  1.0
  Mo  Mo1  1  0.68  0.0  0.08  1.0
  Mo  Mo2  1  0.0  0.0  0.07  1.0

data_TlGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.65
_cell_length_c   5.38
_cell_angle_alpha   115.6
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaMo2
_chemical_formula_sum   'Tl1 Ga1 Mo2'
_cell_volume   71.09
_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  0.13  0.46  0.13  1.0
  Ga  Ga1  1  0.02  0.02  0.02  1.0
  Mo  Mo2  1  0.59  0.92  0.59  1.0
  Mo  Mo3  1  0.93  0.93  0.93  1.0

Tl Ga Mo Mo