data_BeReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.31
_cell_angle_alpha   101.3
_cell_angle_beta   101.3
_cell_angle_gamma   41.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReCl2
_chemical_formula_sum   'Be1 Re1 Cl2'
_cell_volume   83.21
_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
  Be  Be0  1  0.98  0.0  0.19  1.0
  Re  Re3  1  0.84  0.0  0.92  1.0
  Cl  Cl1  1  0.46  0.0  0.85  1.0
  Cl  Cl2  1  0.08  0.0  0.76  1.0

data_BeReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.2
_cell_length_c   7.31
_cell_angle_alpha   101.3
_cell_angle_beta   90.0
_cell_angle_gamma   110.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReCl2
_chemical_formula_sum   'Be1 Re1 Cl2'
_cell_volume   83.21
_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
  Be  Be0  1  0.0  0.02  0.81  1.0
  Re  Re1  1  0.0  0.16  0.08  1.0
  Cl  Cl2  1  0.0  0.54  0.15  1.0
  Cl  Cl3  1  0.0  0.92  0.24  1.0

Be Re Cl Cl