# generated using pymatgen
data_Y4BCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85617598
_cell_length_b   12.61152195
_cell_length_c   13.05830213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4BCl6
_chemical_formula_sum   'Y8 B2 Cl12'
_cell_volume   635.05458751
_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
  Y  Y0  1  0.00000000  0.10714257  0.08497017  1.0
  Y  Y1  1  0.00000000  0.89285743  0.91502983  1.0
  Y  Y2  1  0.00000000  0.60714257  0.41502983  1.0
  Y  Y3  1  0.00000000  0.39285743  0.58497017  1.0
  Y  Y4  1  0.50000000  0.12684582  0.85079695  1.0
  Y  Y5  1  0.50000000  0.87315418  0.14920305  1.0
  Y  Y6  1  0.50000000  0.62684582  0.64920305  1.0
  Y  Y7  1  0.50000000  0.37315418  0.35079695  1.0
  B  B8  1  0.50000000  0.00000000  0.00000000  1.0
  B  B9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.26722932  0.68335736  1.0
  Cl  Cl11  1  0.50000000  0.73277068  0.31664264  1.0
  Cl  Cl12  1  0.50000000  0.76722932  0.81664264  1.0
  Cl  Cl13  1  0.50000000  0.23277068  0.18335736  1.0
  Cl  Cl14  1  0.00000000  0.25741137  0.92924677  1.0
  Cl  Cl15  1  0.00000000  0.74258863  0.07075323  1.0
  Cl  Cl16  1  0.00000000  0.47853472  0.24260955  1.0
  Cl  Cl17  1  0.00000000  0.52146528  0.75739045  1.0
  Cl  Cl18  1  0.00000000  0.97853472  0.25739045  1.0
  Cl  Cl19  1  0.00000000  0.02146528  0.74260955  1.0
  Cl  Cl20  1  0.00000000  0.24258863  0.42924677  1.0
  Cl  Cl21  1  0.00000000  0.75741137  0.57075323  1.0