# generated using pymatgen
data_Y4BeBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94854823
_cell_length_b   13.31770568
_cell_length_c   13.95090236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4BeBr6
_chemical_formula_sum   'Y8 Be2 Br12'
_cell_volume   733.61661601
_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  0.50000000  0.11848801  0.34618000  1.0
  Y  Y1  1  0.50000000  0.88151199  0.65382000  1.0
  Y  Y2  1  0.50000000  0.61848801  0.15382000  1.0
  Y  Y3  1  0.50000000  0.38151199  0.84618000  1.0
  Y  Y4  1  0.00000000  0.11625465  0.58168747  1.0
  Y  Y5  1  0.00000000  0.88374535  0.41831253  1.0
  Y  Y6  1  0.00000000  0.61625465  0.91831253  1.0
  Y  Y7  1  0.00000000  0.38374535  0.08168747  1.0
  Be  Be8  1  0.50000000  0.00000000  0.50000000  1.0
  Be  Be9  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br10  1  0.50000000  0.25015326  0.17166350  1.0
  Br  Br11  1  0.50000000  0.74984674  0.82833650  1.0
  Br  Br12  1  0.50000000  0.75015326  0.32833650  1.0
  Br  Br13  1  0.50000000  0.24984674  0.67166350  1.0
  Br  Br14  1  0.00000000  0.25761829  0.41731856  1.0
  Br  Br15  1  0.00000000  0.74238171  0.58268144  1.0
  Br  Br16  1  0.00000000  0.75761829  0.08268144  1.0
  Br  Br17  1  0.00000000  0.24238171  0.91731856  1.0
  Br  Br18  1  0.00000000  0.00548272  0.24067451  1.0
  Br  Br19  1  0.00000000  0.99451728  0.75932549  1.0
  Br  Br20  1  0.00000000  0.50548272  0.25932549  1.0
  Br  Br21  1  0.00000000  0.49451728  0.74067451  1.0