data_[Ba4Y2B4Cl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [P2_1/m]
_cell_length_a [6.4350]
_cell_length_b [5.3113]
_cell_length_c [11.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2YB2ClO6]
_chemical_formula_sum '[Ba4 Y2 B4 Cl2 O12]'
_cell_volume [382.2955]
_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
[
  Ba  Ba0  2  0.0950  0.2500  0.2081  1
  Ba  Ba1  2  0.3388  0.2500  0.5726  1
  Y  Y2  2  0.3453  0.2500  0.9124  1
  B  B3  2  0.2120  0.7500  0.0739  1
  B  B4  2  0.3741  0.7500  0.7242  1
  Cl  Cl5  2  0.1511  0.7500  0.4134  1
  O  O6  4  0.2872  0.5275  0.7605  1
  O  O7  4  0.3266  0.5294  0.0669  1
  O  O8  2  0.0085  0.7500  0.0949  1
  O  O9  2  0.4755  0.2500  0.3537  1
]