# generated using pymatgen
data_CrRuBr18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81703574
_cell_length_b   8.81703670
_cell_length_c   8.81703614
_cell_angle_alpha   91.91817033
_cell_angle_beta   91.91815980
_cell_angle_gamma   91.91817003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuBr18
_chemical_formula_sum   'Cr1 Ru1 Br18'
_cell_volume   684.25887258
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru1  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br2  1  0.71797215  0.99181439  0.00775245  1.0
  Br  Br3  1  0.75736915  0.12793543  0.60251295  1.0
  Br  Br4  1  0.00775245  0.71797215  0.99181439  1.0
  Br  Br5  1  0.24263085  0.87206457  0.39748705  1.0
  Br  Br6  1  0.12793543  0.60251295  0.75736915  1.0
  Br  Br7  1  0.00818561  0.99224755  0.28202785  1.0
  Br  Br8  1  0.60251295  0.75736915  0.12793543  1.0
  Br  Br9  1  0.99224755  0.28202785  0.00818561  1.0
  Br  Br10  1  0.87206457  0.39748705  0.24263085  1.0
  Br  Br11  1  0.39748705  0.24263085  0.87206457  1.0
  Br  Br12  1  0.99181439  0.00775245  0.71797215  1.0
  Br  Br13  1  0.28202785  0.00818561  0.99224755  1.0
  Br  Br14  1  0.77993831  0.54699911  0.47691385  1.0
  Br  Br15  1  0.52308615  0.22006169  0.45300089  1.0
  Br  Br16  1  0.45300089  0.52308615  0.22006169  1.0
  Br  Br17  1  0.47691385  0.77993831  0.54699911  1.0
  Br  Br18  1  0.54699911  0.47691385  0.77993831  1.0
  Br  Br19  1  0.22006169  0.45300089  0.52308615  1.0