# generated using pymatgen
data_CaLu3(B6Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58794291
_cell_length_b   9.04264308
_cell_length_c   11.42803440
_cell_angle_alpha   89.85387189
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLu3(B6Ru)2
_chemical_formula_sum   'Ca2 Lu6 B24 Ru4'
_cell_volume   370.77550938
_cell_formula_units_Z   2
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  0.32350663  0.41514220  1.0
  Ca  Ca1  1  0.00000000  0.67649337  0.58485780  1.0
  Lu  Lu2  1  0.00000000  0.82182437  0.08549510  1.0
  Lu  Lu3  1  0.00000000  0.17817563  0.91450490  1.0
  Lu  Lu4  1  0.00000000  0.94211888  0.36914657  1.0
  Lu  Lu5  1  0.00000000  0.05788112  0.63085343  1.0
  Lu  Lu6  1  0.00000000  0.44277976  0.13002182  1.0
  Lu  Lu7  1  0.00000000  0.55722024  0.86997818  1.0
  B  B8  1  0.50000000  0.55501676  0.43105238  1.0
  B  B9  1  0.50000000  0.44498324  0.56894762  1.0
  B  B10  1  0.50000000  0.05366471  0.06569201  1.0
  B  B11  1  0.50000000  0.94633529  0.93430799  1.0
  B  B12  1  0.50000000  0.74947463  0.41617911  1.0
  B  B13  1  0.50000000  0.25052537  0.58382089  1.0
  B  B14  1  0.50000000  0.24893480  0.08019267  1.0
  B  B15  1  0.50000000  0.75106520  0.91980733  1.0
  B  B16  1  0.50000000  0.79253926  0.26247162  1.0
  B  B17  1  0.50000000  0.20746074  0.73752838  1.0
  B  B18  1  0.50000000  0.29028014  0.23338110  1.0
  B  B19  1  0.50000000  0.70971986  0.76661890  1.0
  B  B20  1  0.50000000  0.63130250  0.18312514  1.0
  B  B21  1  0.50000000  0.36869750  0.81687486  1.0
  B  B22  1  0.50000000  0.12947271  0.31344826  1.0
  B  B23  1  0.50000000  0.87052729  0.68655174  1.0
  B  B24  1  0.50000000  0.98192794  0.21068039  1.0
  B  B25  1  0.50000000  0.01807206  0.78931961  1.0
  B  B26  1  0.50000000  0.48385797  0.28639127  1.0
  B  B27  1  0.50000000  0.51614203  0.71360873  1.0
  B  B28  1  0.50000000  0.60263567  0.02793151  1.0
  B  B29  1  0.50000000  0.39736433  0.97206849  1.0
  B  B30  1  0.50000000  0.09727761  0.47325098  1.0
  B  B31  1  0.50000000  0.90272239  0.52674902  1.0
  Ru  Ru32  1  0.00000000  0.64162130  0.31591333  1.0
  Ru  Ru33  1  0.00000000  0.35837870  0.68408667  1.0
  Ru  Ru34  1  0.00000000  0.13660584  0.17722532  1.0
  Ru  Ru35  1  0.00000000  0.86339416  0.82277468  1.0