# generated using pymatgen
data_RuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87402058
_cell_length_b   6.63785699
_cell_length_c   11.50443710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuBr3
_chemical_formula_sum   'Ru4 Br12'
_cell_volume   448.56845507
_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
  Ru  Ru0  1  -0.00044336  0.74497355  0.75000000  1.0
  Ru  Ru1  1  0.49955664  0.25502645  0.25000000  1.0
  Ru  Ru2  1  0.50044336  0.74497355  0.75000000  1.0
  Ru  Ru3  1  0.00044336  0.25502645  0.25000000  1.0
  Br  Br4  1  0.25000000  0.05008521  0.75000000  1.0
  Br  Br5  1  0.75000000  0.94991479  0.25000000  1.0
  Br  Br6  1  0.75000000  0.43961754  0.75000000  1.0
  Br  Br7  1  0.25000000  0.56038246  0.25000000  1.0
  Br  Br8  1  0.25000000  0.59241060  0.59783581  1.0
  Br  Br9  1  0.75000000  0.40758940  0.40216419  1.0
  Br  Br10  1  0.25000000  0.59241060  0.90216419  1.0
  Br  Br11  1  0.75000000  0.40758940  0.09783581  1.0
  Br  Br12  1  0.25000000  0.10217829  0.40243270  1.0
  Br  Br13  1  0.75000000  0.89782171  0.59756730  1.0
  Br  Br14  1  0.25000000  0.10217829  0.09756730  1.0
  Br  Br15  1  0.75000000  0.89782171  0.90243270  1.0