# generated using pymatgen
data_Ti4Be3(BRu2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99181144
_cell_length_b   8.40258083
_cell_length_c   9.97432096
_cell_angle_alpha   90.06648791
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Be3(BRu2)5
_chemical_formula_sum   'Ti4 Be3 B5 Ru10'
_cell_volume   250.74366183
_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
  Ti  Ti0  1  0.50000000  0.84931414  0.18503565  1.0
  Ti  Ti1  1  0.50000000  0.15047244  0.81272232  1.0
  Ti  Ti2  1  0.50000000  0.65711311  0.68041388  1.0
  Ti  Ti3  1  0.50000000  0.34609471  0.32119163  1.0
  Be  Be4  1  0.50000000  0.95751302  0.59238752  1.0
  Be  Be5  1  0.50000000  0.04368737  0.40628644  1.0
  Be  Be6  1  0.50000000  0.84387196  0.90189896  1.0
  B  B7  1  0.50000000  0.14826766  0.09888097  1.0
  B  B8  1  0.50000000  0.65379049  0.40116339  1.0
  B  B9  1  0.50000000  0.34778368  0.59942272  1.0
  B  B10  1  0.50000000  0.46238643  0.91075129  1.0
  B  B11  1  0.50000000  0.53552641  0.09089180  1.0
  Ru  Ru12  1  0.00000000  0.64901150  0.95790817  1.0
  Ru  Ru13  1  0.00000000  0.34012567  0.04691180  1.0
  Ru  Ru14  1  0.00000000  0.83263882  0.44154403  1.0
  Ru  Ru15  1  0.00000000  0.17027222  0.55412357  1.0
  Ru  Ru16  1  0.00000000  0.00637805  0.00096066  1.0
  Ru  Ru17  1  0.00000000  0.40257764  0.76209452  1.0
  Ru  Ru18  1  0.00000000  0.59702517  0.23867921  1.0
  Ru  Ru19  1  0.00000000  0.50138647  0.50060786  1.0
  Ru  Ru20  1  0.00000000  0.89503103  0.74153542  1.0
  Ru  Ru21  1  0.00000000  0.10973302  0.25458221  1.0