data_BaBeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   47.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeCl2
_chemical_formula_sum   'Ba1 Be1 Cl2'
_cell_volume   115.86
_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
  Ba  Ba0  1  0.36  0.0  0.78  1.0
  Be  Be1  1  0.0  0.0  0.01  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.36  0.0  0.62  1.0

data_BaBeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.73
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   113.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeCl2
_chemical_formula_sum   'Ba1 Be1 Cl2'
_cell_volume   115.86
_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
  Ba  Ba0  1  0.22  0.36  0.22  1.0
  Be  Be1  1  0.99  0.0  0.99  1.0
  Cl  Cl2  1  0.38  0.36  0.38  1.0
  Cl  Cl3  1  1.0  0.0  1.0  1.0

Ba Be Cl Cl