data_BeSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   5.48
_cell_angle_alpha   106.53
_cell_angle_beta   106.53
_cell_angle_gamma   27.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiCl2
_chemical_formula_sum   'Be1 Si1 Cl2'
_cell_volume   103.04
_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  0.42  0.0  0.14  1.0
  Si  Si3  1  0.16  0.0  1.0  1.0
  Cl  Cl1  1  0.98  0.0  0.71  1.0
  Cl  Cl2  1  0.42  0.0  0.26  1.0

data_BeSiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.48
_cell_length_c   6.58
_cell_angle_alpha   106.53
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiCl2
_chemical_formula_sum   'Be1 Si1 Cl2'
_cell_volume   103.04
_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  0.14  0.42  1.0
  Si  Si1  1  0.0  1.0  0.16  1.0
  Cl  Cl2  1  0.0  0.26  0.42  1.0
  Cl  Cl3  1  0.0  0.71  0.98  1.0

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