data_TaTlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   147.7
_cell_angle_beta   128.88
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlMo
_chemical_formula_sum   'Ta1 Tl1 Mo1'
_cell_volume   56.08
_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
  Ta  Ta1  1  0.0  0.0  0.88  1.0
  Tl  Tl2  1  0.0  0.0  0.95  1.0
  Mo  Mo0  1  0.0  0.0  0.83  1.0

data_TaTlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.44
_cell_length_c   5.14
_cell_angle_alpha   115.56
_cell_angle_beta   106.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlMo
_chemical_formula_sum   'Ta1 Tl1 Mo1'
_cell_volume   56.08
_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
  Ta  Ta0  1  0.12  0.12  0.12  1.0
  Tl  Tl1  1  0.05  0.05  0.05  1.0
  Mo  Mo2  1  0.17  0.17  0.17  1.0

Ta Tl Mo