data_BeCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   11.77
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCl3
_chemical_formula_sum   'Be4 Cl12'
_cell_volume   387.0
_cell_formula_units_Z   4
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  0.83  0.16  1.0
  Be  Be1  1  0.77  0.94  0.08  1.0
  Be  Be2  1  0.85  0.83  0.77  1.0
  Be  Be3  1  0.58  0.94  0.69  1.0
  Cl  Cl4  1  0.84  0.83  0.58  1.0
  Cl  Cl5  1  0.59  0.94  0.66  1.0
  Cl  Cl6  1  0.03  0.83  0.19  1.0
  Cl  Cl7  1  0.78  0.94  0.26  1.0
  Cl  Cl8  1  0.24  0.35  0.47  1.0
  Cl  Cl9  1  0.19  0.42  0.39  1.0
  Cl  Cl10  1  0.43  0.3  0.46  1.0
  Cl  Cl11  1  0.38  0.47  0.38  1.0
  Cl  Cl12  1  0.38  0.42  0.38  1.0
  Cl  Cl13  1  0.43  0.35  0.46  1.0
  Cl  Cl14  1  0.19  0.47  0.39  1.0
  Cl  Cl15  1  0.24  0.3  0.47  1.0

data_BeCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.62
_cell_length_b   5.85
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeCl3
_chemical_formula_sum   'Be4 Cl12'
_cell_volume   387.0
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.84  0.94  1.0
  Be  Be1  2  0.23  0.23  0.94  1.0
  Cl  Cl2  2  0.03  0.66  0.94  1.0
  Cl  Cl3  2  0.22  0.26  0.94  1.0
  Cl  Cl4  2  0.38  0.47  0.58  1.0
  Cl  Cl5  2  0.38  0.47  0.53  1.0
  Cl  Cl6  2  0.43  0.54  0.42  1.0
  Cl  Cl7  2  0.43  0.54  0.47  1.0

Be Be Be Be Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Be Be Be Be Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 6 o o o 1 7 o o o 2 4 o o o 3 5 o o o 8 15 o o o 9 14 o o o 10 13 o o o 11 12 o o o 