data_BeSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   5.4
_cell_angle_alpha   102.56
_cell_angle_beta   102.56
_cell_angle_gamma   26.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSbCl2
_chemical_formula_sum   'Be1 Sb1 Cl2'
_cell_volume   108.33
_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  0.04  0.0  0.92  1.0
  Sb  Sb3  1  0.37  0.0  0.09  1.0
  Cl  Cl1  1  0.24  0.0  0.48  1.0
  Cl  Cl2  1  0.2  0.0  0.41  1.0

data_BeSbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.4
_cell_length_c   6.74
_cell_angle_alpha   102.56
_cell_angle_beta   103.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSbCl2
_chemical_formula_sum   'Be1 Sb1 Cl2'
_cell_volume   108.33
_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  0.92  0.04  1.0
  Sb  Sb1  1  0.0  0.09  0.37  1.0
  Cl  Cl2  1  0.0  0.41  0.2  1.0
  Cl  Cl3  1  0.0  0.48  0.24  1.0

Be Sb Cl Cl
Be Sb Cl Cl 0 3 o o + 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 