# generated using pymatgen
data_CaLu7(B6Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58410466
_cell_length_b   9.01772511
_cell_length_c   11.39011247
_cell_angle_alpha   89.92509186
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLu7(B6Ru)4
_chemical_formula_sum   'Ca1 Lu7 B24 Ru4'
_cell_volume   368.13348024
_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
  Ca  Ca0  1  0.00000000  0.32186110  0.41393040  1.0
  Lu  Lu1  1  0.00000000  0.67681435  0.58472291  1.0
  Lu  Lu2  1  0.00000000  0.82116531  0.08573172  1.0
  Lu  Lu3  1  0.00000000  0.17963505  0.91511474  1.0
  Lu  Lu4  1  0.00000000  0.94358081  0.37086201  1.0
  Lu  Lu5  1  0.00000000  0.05766225  0.62860895  1.0
  Lu  Lu6  1  0.00000000  0.44314863  0.12868942  1.0
  Lu  Lu7  1  0.00000000  0.55627613  0.87285172  1.0
  B  B8  1  0.50000000  0.55530779  0.43326883  1.0
  B  B9  1  0.50000000  0.44677311  0.56810653  1.0
  B  B10  1  0.50000000  0.05281366  0.06535771  1.0
  B  B11  1  0.50000000  0.94596929  0.93313631  1.0
  B  B12  1  0.50000000  0.74958358  0.41967473  1.0
  B  B13  1  0.50000000  0.25124285  0.58235157  1.0
  B  B14  1  0.50000000  0.24835261  0.07950788  1.0
  B  B15  1  0.50000000  0.75106058  0.92004899  1.0
  B  B16  1  0.50000000  0.79236953  0.26471699  1.0
  B  B17  1  0.50000000  0.20869412  0.73592438  1.0
  B  B18  1  0.50000000  0.29008255  0.23301073  1.0
  B  B19  1  0.50000000  0.70853041  0.76558781  1.0
  B  B20  1  0.50000000  0.63166079  0.18431950  1.0
  B  B21  1  0.50000000  0.36937257  0.81671070  1.0
  B  B22  1  0.50000000  0.12920534  0.31371244  1.0
  B  B23  1  0.50000000  0.86914212  0.68443607  1.0
  B  B24  1  0.50000000  0.98112896  0.21133239  1.0
  B  B25  1  0.50000000  0.01811684  0.78748839  1.0
  B  B26  1  0.50000000  0.48364512  0.28671824  1.0
  B  B27  1  0.50000000  0.51834038  0.71341070  1.0
  B  B28  1  0.50000000  0.60650488  0.02943929  1.0
  B  B29  1  0.50000000  0.39404145  0.97116861  1.0
  B  B30  1  0.50000000  0.10060848  0.47219026  1.0
  B  B31  1  0.50000000  0.89648950  0.52856669  1.0
  Ru  Ru32  1  0.00000000  0.64083340  0.31946761  1.0
  Ru  Ru33  1  0.00000000  0.36201425  0.68219536  1.0
  Ru  Ru34  1  0.00000000  0.13579126  0.17701179  1.0
  Ru  Ru35  1  0.00000000  0.86217894  0.82062461  1.0