# generated using pymatgen
data_Y3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72274937
_cell_length_b   9.72281144
_cell_length_c   9.72274217
_cell_angle_alpha   109.47076373
_cell_angle_beta   109.47064575
_cell_angle_gamma   109.47141976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3BBr3
_chemical_formula_sum   'Y12 B4 Br12'
_cell_volume   707.54211523
_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  0.46085725  0.48042683  0.23043147  1.0
  Y  Y1  1  0.75001302  0.23043907  0.26957833  1.0
  Y  Y2  1  0.75000876  0.01956950  0.48043965  1.0
  Y  Y3  1  0.23042755  0.46086023  0.48042847  1.0
  Y  Y4  1  0.26956515  0.74999127  0.23043141  1.0
  Y  Y5  1  0.03913785  0.26956616  0.01956761  1.0
  Y  Y6  1  0.01956890  0.03913597  0.26956732  1.0
  Y  Y7  1  0.48043042  0.74999292  0.01956327  1.0
  Y  Y8  1  0.48042782  0.23044205  0.46086325  1.0
  Y  Y9  1  0.01956727  0.48042644  0.74999606  1.0
  Y  Y10  1  0.26956511  0.01957325  0.03913668  1.0
  Y  Y11  1  0.23043026  0.26956495  0.74999817  1.0
  B  B12  1  0.24999572  0.25000000  0.24999883  1.0
  B  B13  1  0.50000224  0.00000030  0.25000209  1.0
  B  B14  1  0.00000350  0.24999860  0.50000246  1.0
  B  B15  1  0.24999704  0.49999398  -0.00000467  1.0
  Br  Br16  1  0.25000465  0.75871144  0.74128589  1.0
  Br  Br17  1  0.51741762  0.50871235  0.75869237  1.0
  Br  Br18  1  0.98258530  0.74130623  0.99130722  1.0
  Br  Br19  1  0.74127736  0.25000316  0.75871547  1.0
  Br  Br20  1  0.99127859  0.98256406  0.74127561  1.0
  Br  Br21  1  0.24999397  0.99129908  0.50871161  1.0
  Br  Br22  1  0.75872732  0.51743223  0.50871489  1.0
  Br  Br23  1  0.50872112  0.25000270  0.99129113  1.0
  Br  Br24  1  0.75871584  0.74129184  0.24998990  1.0
  Br  Br25  1  0.74130151  0.99130658  0.98258693  1.0
  Br  Br26  1  0.99127547  0.50869271  0.24999223  1.0
  Br  Br27  1  0.50870141  0.75869710  0.51743535  1.0