data_Te3Mo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Mo2Se
_chemical_formula_sum   'Te3 Mo2 Se1'
_cell_volume   160.1
_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  0.02  0.17  1.0
  Te  Te1  1  0.0  0.02  0.51  1.0
  Te  Te2  1  0.0  0.0  0.53  1.0
  Mo  Mo3  1  0.0  0.0  0.34  1.0
  Mo  Mo4  1  0.0  0.02  0.67  1.0
  Se  Se5  1  0.0  0.0  0.07  1.0

data_Te3Mo2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.5
_cell_length_b   6.06
_cell_length_c   15.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te3Mo2Se
_chemical_formula_sum   'Te6 Mo4 Se2'
_cell_volume   320.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.53  1.0
  Te  Te1  2  0.02  0.0  0.17  1.0
  Te  Te2  2  0.02  0.0  0.51  1.0
  Mo  Mo3  2  0.0  0.0  0.34  1.0
  Mo  Mo4  2  0.02  0.0  0.67  1.0
  Se  Se5  2  0.0  0.0  0.07  1.0

Te Te Te Mo Mo Se