data_ZnTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.7
_cell_angle_alpha   106.41
_cell_angle_beta   106.41
_cell_angle_gamma   37.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeMo2
_chemical_formula_sum   'Zn1 Te1 Mo2'
_cell_volume   68.52
_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  Zn3  1  0.75  0.0  0.88  1.0
  Te  Te2  1  0.07  0.0  0.4  1.0
  Mo  Mo0  1  0.39  0.0  0.18  1.0
  Mo  Mo1  1  0.42  0.0  0.26  1.0

data_ZnTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.7
_cell_length_c   5.01
_cell_angle_alpha   106.41
_cell_angle_beta   108.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeMo2
_chemical_formula_sum   'Zn1 Te1 Mo2'
_cell_volume   68.52
_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  Zn0  1  0.0  0.88  0.75  1.0
  Te  Te1  1  0.0  0.4  0.07  1.0
  Mo  Mo2  1  0.0  0.18  0.39  1.0
  Mo  Mo3  1  0.0  0.26  0.42  1.0

Zn Te Mo Mo
Zn Te Mo Mo 0 3 o o o 0 3 o o + 0 3 + o + 0 2 o o o 0 2 o o + 0 2 + o + 0 0 + - o 0 1 + o o 0 1 + o + 1 3 o o o 1 2 o o o 2 3 o o o 