data_Zn2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.94
_cell_angle_alpha   95.66
_cell_angle_beta   95.66
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReMo
_chemical_formula_sum   'Zn2 Re1 Mo1'
_cell_volume   59.64
_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  0.53  0.0  0.82  1.0
  Zn  Zn3  1  0.9  0.0  0.78  1.0
  Re  Re1  1  0.69  0.0  0.3  1.0
  Mo  Mo0  1  0.34  0.0  0.37  1.0

data_Zn2ReMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.76
_cell_length_c   4.94
_cell_angle_alpha   95.66
_cell_angle_beta   90.0
_cell_angle_gamma   106.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReMo
_chemical_formula_sum   'Zn2 Re1 Mo1'
_cell_volume   59.64
_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  0.1  0.22  1.0
  Zn  Zn1  1  0.0  0.47  0.18  1.0
  Re  Re2  1  0.0  0.31  0.7  1.0
  Mo  Mo3  1  0.0  0.66  0.63  1.0

Zn Zn Re Mo
Zn Zn Re Mo 0 1 o o o 2 3 o o o 