data_ZnReMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.22
_cell_angle_beta   130.4
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReMo2
_chemical_formula_sum   'Zn1 Re1 Mo2'
_cell_volume   60.97
_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
  Re  Re2  1  0.0  0.0  0.42  1.0
  Mo  Mo0  1  0.0  0.17  0.12  1.0
  Mo  Mo1  1  0.59  0.0  0.3  1.0

data_ZnReMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.34
_cell_length_c   5.17
_cell_angle_alpha   114.8
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReMo2
_chemical_formula_sum   'Zn1 Re1 Mo2'
_cell_volume   60.97
_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
  Re  Re1  1  0.0  0.42  0.42  1.0
  Mo  Mo2  1  0.0  0.3  0.71  1.0
  Mo  Mo3  1  0.83  0.95  0.95  1.0

Zn Re Mo Mo