data_TcTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcTeMo2
_chemical_formula_sum   'Tc1 Te1 Mo2'
_cell_volume   67.7
_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
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.61  0.0  0.0  1.0
  Mo  Mo0  1  0.31  0.87  0.52  1.0
  Mo  Mo1  1  0.31  0.13  0.52  1.0

data_TcTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   116.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcTeMo2
_chemical_formula_sum   'Tc1 Te1 Mo2'
_cell_volume   67.7
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.61  0.0  1.0
  Mo  Mo2  1  0.52  0.31  0.13  1.0
  Mo  Mo3  1  0.52  0.31  0.87  1.0

Tc Te Mo Mo