data_Te3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.25
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   92.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Mo
_chemical_formula_sum   'Te3 Mo1'
_cell_volume   102.69
_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
  Te  Te1  1  0.17  0.63  0.0  1.0
  Te  Te2  1  0.77  0.0  0.84  1.0
  Te  Te3  1  0.63  0.63  0.68  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Te3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.26
_cell_length_c   9.69
_cell_angle_alpha   92.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Mo
_chemical_formula_sum   'Te3 Mo1'
_cell_volume   102.69
_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
  Te  Te0  1  0.0  0.23  0.16  1.0
  Te  Te1  1  0.37  0.37  0.32  1.0
  Te  Te2  1  0.37  0.83  1.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Te Te Te Mo