data_BeInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInCl2
_chemical_formula_sum   'Be1 In1 Cl2'
_cell_volume   108.41
_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  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.58  1.0
  Cl  Cl1  1  0.53  0.0  0.45  1.0
  Cl  Cl2  1  0.53  0.0  0.7  1.0

data_BeInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.52
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInCl2
_chemical_formula_sum   'Be1 In1 Cl2'
_cell_volume   108.41
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.58  1.0
  Cl  Cl2  1  0.0  0.53  0.45  1.0
  Cl  Cl3  1  0.0  0.53  0.7  1.0

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