data_Re2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.28
_cell_angle_alpha   91.42
_cell_angle_beta   91.42
_cell_angle_gamma   31.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoCl
_chemical_formula_sum   'Re2 Mo1 Cl1'
_cell_volume   63.42
_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
  Re  Re2  1  0.09  0.0  0.11  1.0
  Re  Re3  1  0.98  0.0  0.17  1.0
  Mo  Mo1  1  0.03  0.0  0.14  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re2MoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.28
_cell_length_c   5.29
_cell_angle_alpha   91.42
_cell_angle_beta   105.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoCl
_chemical_formula_sum   'Re2 Mo1 Cl1'
_cell_volume   63.42
_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
  Re  Re0  1  0.0  0.11  0.09  1.0
  Re  Re1  1  0.0  0.17  0.98  1.0
  Mo  Mo2  1  0.0  0.14  0.03  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Re Mo Cl