data_Re2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.2
_cell_angle_alpha   102.43
_cell_angle_beta   102.43
_cell_angle_gamma   40.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AsCl
_chemical_formula_sum   'Re2 As1 Cl1'
_cell_volume   61.79
_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  0.12  0.0  0.69  1.0
  Re  Re3  1  0.86  0.0  0.37  1.0
  As  As0  1  0.49  0.0  0.53  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Re2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.35
_cell_length_c   5.2
_cell_angle_alpha   102.43
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AsCl
_chemical_formula_sum   'Re2 As1 Cl1'
_cell_volume   61.79
_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  0.14  0.63  1.0
  Re  Re1  1  0.0  0.88  0.31  1.0
  As  As2  1  0.0  0.51  0.47  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Re As Cl
Re Re As Cl 0 1 - o o 0 3 o o + 0 2 o o o 1 2 o o o 1 3 + o o 