# generated using pymatgen
data_Y3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41889891
_cell_length_b   9.41906104
_cell_length_c   9.41873168
_cell_angle_alpha   109.47074830
_cell_angle_beta   109.47071139
_cell_angle_gamma   109.47206153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3BCl3
_chemical_formula_sum   'Y12 B4 Cl12'
_cell_volume   643.24887549
_cell_formula_units_Z   4
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  0.47043335  0.48521578  0.23521874  1.0
  Y  Y1  1  0.74999290  0.23521458  0.26478445  1.0
  Y  Y2  1  0.74999289  0.01477897  0.48520756  1.0
  Y  Y3  1  0.23522150  0.47044924  0.48522370  1.0
  Y  Y4  1  0.26479654  0.75001179  0.23521430  1.0
  Y  Y5  1  0.02955748  0.26477734  0.01477940  1.0
  Y  Y6  1  0.01477795  0.02955307  0.26477880  1.0
  Y  Y7  1  0.48521767  0.75000979  0.01479333  1.0
  Y  Y8  1  0.48521655  0.23520923  0.47042395  1.0
  Y  Y9  1  0.01477687  0.48522458  0.74999616  1.0
  Y  Y10  1  0.26479524  0.01478651  0.02958421  1.0
  Y  Y11  1  0.23522043  0.26477067  0.74999497  1.0
  B  B12  1  0.24999727  0.24999860  0.25000401  1.0
  B  B13  1  0.50000791  0.00000558  0.25000424  1.0
  B  B14  1  -0.00000128  0.24999872  0.49999726  1.0
  B  B15  1  0.24999735  0.49999750  -0.00000582  1.0
  Cl  Cl16  1  0.25000027  0.75644250  0.74355226  1.0
  Cl  Cl17  1  0.51288089  0.50644010  0.75644017  1.0
  Cl  Cl18  1  0.98710761  0.74355394  0.99355421  1.0
  Cl  Cl19  1  0.74356147  0.25000088  0.75644101  1.0
  Cl  Cl20  1  0.99355164  0.98710711  0.74355241  1.0
  Cl  Cl21  1  0.24999980  0.99355863  0.50644572  1.0
  Cl  Cl22  1  0.75644689  0.51289256  0.50644750  1.0
  Cl  Cl23  1  0.50644424  0.25000157  0.99355556  1.0
  Cl  Cl24  1  0.75644723  0.74355433  0.24999866  1.0
  Cl  Cl25  1  0.74356230  0.99356131  0.98712152  1.0
  Cl  Cl26  1  0.99355280  0.50644285  0.24999887  1.0
  Cl  Cl27  1  0.50644425  0.75644328  0.51288985  1.0