data_ZnTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.56
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Mo
_chemical_formula_sum   'Zn1 Te2 Mo1'
_cell_volume   82.99
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.73  0.28  0.0  1.0
  Te  Te2  1  0.73  0.0  0.63  1.0
  Mo  Mo0  1  0.0  0.28  0.63  1.0

data_ZnTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.56
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Mo
_chemical_formula_sum   'Zn1 Te2 Mo1'
_cell_volume   82.99
_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  0.0  0.0  1.0
  Te  Te1  1  0.73  0.0  0.63  1.0
  Te  Te2  1  0.73  0.28  0.0  1.0
  Mo  Mo3  1  0.0  0.28  0.63  1.0

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