data_TaTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.08
_cell_angle_alpha   101.12
_cell_angle_beta   101.12
_cell_angle_gamma   116.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeMo2
_chemical_formula_sum   'Ta1 Te1 Mo2'
_cell_volume   72.15
_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  Ta2  1  0.8  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.83  0.25  0.43  1.0
  Mo  Mo1  1  0.83  0.75  0.43  1.0

data_TaTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   116.27
_cell_angle_beta   101.12
_cell_angle_gamma   101.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTeMo2
_chemical_formula_sum   'Ta1 Te1 Mo2'
_cell_volume   72.15
_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  0.0  0.8  0.0  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.43  0.83  0.25  1.0
  Mo  Mo3  1  0.43  0.83  0.75  1.0

Ta Te Mo Mo