data_ZnTe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.49
_cell_angle_alpha   92.84
_cell_angle_beta   92.84
_cell_angle_gamma   101.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Mo
_chemical_formula_sum   'Zn1 Te2 Mo1'
_cell_volume   82.18
_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  0.41  0.09  0.74  1.0
  Te  Te2  1  0.41  0.91  0.74  1.0
  Mo  Mo0  1  0.1  0.0  0.0  1.0

data_ZnTe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   101.73
_cell_angle_beta   92.84
_cell_angle_gamma   92.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTe2Mo
_chemical_formula_sum   'Zn1 Te2 Mo1'
_cell_volume   82.18
_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  0.74  0.41  0.09  1.0
  Te  Te2  1  0.74  0.41  0.91  1.0
  Mo  Mo3  1  -0.0  0.1  0.0  1.0

Zn Te Te Mo