data_Zn2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   137.44
_cell_angle_beta   137.44
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeMo
_chemical_formula_sum   'Zn2 Te1 Mo1'
_cell_volume   70.14
_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
  Zn  Zn2  1  0.0  0.95  0.31  1.0
  Zn  Zn3  1  0.95  0.0  0.31  1.0
  Te  Te1  1  0.0  0.0  0.61  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Zn2TeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   120.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2TeMo
_chemical_formula_sum   'Zn4 Te2 Mo2'
_cell_volume   140.29
_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
  Zn  Zn0  4  0.17  0.48  0.64  1.0
  Te  Te1  2  0.39  0.0  0.39  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

Zn Zn Te Mo