# generated using pymatgen
data_Ho3BBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64936062
_cell_length_b   9.64935982
_cell_length_c   9.64936039
_cell_angle_alpha   109.47121976
_cell_angle_beta   109.47121808
_cell_angle_gamma   109.47122194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3BBr3
_chemical_formula_sum   'Ho12 B4 Br12'
_cell_volume   691.62978271
_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
  Ho  Ho0  1  0.45858285  0.47929143  0.22929143  1.0
  Ho  Ho1  1  0.75000000  0.22929143  0.27070857  1.0
  Ho  Ho2  1  0.75000000  0.02070857  0.47929143  1.0
  Ho  Ho3  1  0.22929143  0.45858285  0.47929143  1.0
  Ho  Ho4  1  0.27070857  0.75000000  0.22929143  1.0
  Ho  Ho5  1  0.04141715  0.27070857  0.02070857  1.0
  Ho  Ho6  1  0.02070857  0.04141715  0.27070857  1.0
  Ho  Ho7  1  0.47929143  0.75000000  0.02070857  1.0
  Ho  Ho8  1  0.47929143  0.22929143  0.45858285  1.0
  Ho  Ho9  1  0.02070857  0.47929143  0.75000000  1.0
  Ho  Ho10  1  0.27070857  0.02070857  0.04141715  1.0
  Ho  Ho11  1  0.22929143  0.27070857  0.75000000  1.0
  B  B12  1  0.25000000  0.25000000  0.25000000  1.0
  B  B13  1  0.50000000  0.00000000  0.25000000  1.0
  B  B14  1  0.00000000  0.25000000  0.50000000  1.0
  B  B15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75797795  0.74202205  1.0
  Br  Br17  1  0.51595789  0.50797795  0.75797795  1.0
  Br  Br18  1  0.98404211  0.74202205  0.99202205  1.0
  Br  Br19  1  0.74202205  0.25000000  0.75797795  1.0
  Br  Br20  1  0.99202205  0.98404211  0.74202205  1.0
  Br  Br21  1  0.25000000  0.99202205  0.50797795  1.0
  Br  Br22  1  0.75797795  0.51595789  0.50797795  1.0
  Br  Br23  1  0.50797795  0.25000000  0.99202205  1.0
  Br  Br24  1  0.75797795  0.74202205  0.25000000  1.0
  Br  Br25  1  0.74202205  0.99202205  0.98404211  1.0
  Br  Br26  1  0.99202205  0.50797795  0.25000000  1.0
  Br  Br27  1  0.50797795  0.75797795  0.51595789  1.0