data_[La2B4Cl2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2668]
_cell_length_b [6.6696]
_cell_length_c [8.2660]
_cell_angle_alpha [81.9282]
_cell_angle_beta [89.2899]
_cell_angle_gamma [72.1553]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaB2ClO4]
_chemical_formula_sum '[La2 B4 Cl2 O8]'
_cell_volume [221.5808]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.2113  0.0328  0.2221  1.0
  B  B1  2  0.1648  0.3499  0.8526  1.0
  B  B2  2  0.4385  0.4373  0.1928  1.0
  Cl  Cl3  2  0.1477  0.2002  0.5433  1.0
  O  O4  2  0.1008  0.4649  0.1770  1.0
  O  O5  2  0.1611  0.1544  0.9202  1.0
  O  O6  2  0.3653  0.7638  0.7918  1.0
  O  O7  2  0.4754  0.3756  0.8184  1.0
]