data_Sn2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   153.43
_cell_angle_beta   143.38
_cell_angle_gamma   45.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeMo
_chemical_formula_sum   'Sn2 Te1 Mo1'
_cell_volume   100.49
_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
  Sn  Sn1  1  0.66  0.0  0.94  1.0
  Sn  Sn2  1  0.0  0.0  0.88  1.0
  Te  Te3  1  0.66  0.0  0.67  1.0
  Mo  Mo0  1  0.0  0.0  0.49  1.0

data_Sn2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.54
_cell_length_c   7.23
_cell_angle_alpha   108.31
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeMo
_chemical_formula_sum   'Sn2 Te1 Mo1'
_cell_volume   100.49
_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
  Sn  Sn0  1  0.0  0.88  0.88  1.0
  Sn  Sn1  1  0.0  0.94  0.28  1.0
  Te  Te2  1  0.0  0.67  0.01  1.0
  Mo  Mo3  1  0.0  0.49  0.49  1.0

Sn Sn Te Mo