data_BeInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   3.43
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   113.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInCl2
_chemical_formula_sum   'Be1 In1 Cl2'
_cell_volume   99.21
_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  0.08  0.0  0.56  1.0
  In  In3  1  0.43  0.71  0.49  1.0
  Cl  Cl1  1  0.85  0.71  0.68  1.0
  Cl  Cl2  1  0.77  0.0  0.39  1.0

data_BeInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.35
_cell_length_c   5.91
_cell_angle_alpha   113.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInCl2
_chemical_formula_sum   'Be1 In1 Cl2'
_cell_volume   99.21
_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  0.92  0.44  1.0
  In  In1  1  0.29  0.57  0.51  1.0
  Cl  Cl2  1  0.0  0.23  0.61  1.0
  Cl  Cl3  1  0.29  0.15  0.32  1.0

Be In Cl Cl
Be In Cl Cl 0 3 - o o 0 1 o - o 0 2 - - o 1 3 o + o 1 2 o o o 2 3 o + o 