# generated using pymatgen
data_Lu12Re(Si4Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14455648
_cell_length_b   10.44879496
_cell_length_c   12.00020396
_cell_angle_alpha   90.10546929
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu12Re(Si4Ir)3
_chemical_formula_sum   'Lu12 Re1 Si12 Ir3'
_cell_volume   519.67540324
_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
  Lu  Lu0  1  0.25000000  0.87815221  0.02024628  1.0
  Lu  Lu1  1  0.25000000  0.62086250  0.52127200  1.0
  Lu  Lu2  1  0.75000000  0.11884973  0.98047350  1.0
  Lu  Lu3  1  0.75000000  0.37910434  0.48104632  1.0
  Lu  Lu4  1  0.25000000  0.92142854  0.60320251  1.0
  Lu  Lu5  1  0.25000000  0.58008247  0.10491502  1.0
  Lu  Lu6  1  0.75000000  0.07970520  0.39487526  1.0
  Lu  Lu7  1  0.75000000  0.41965189  0.89523319  1.0
  Lu  Lu8  1  0.25000000  0.66449274  0.79858594  1.0
  Lu  Lu9  1  0.25000000  0.83916271  0.29948851  1.0
  Lu  Lu10  1  0.75000000  0.34078140  0.19908029  1.0
  Lu  Lu11  1  0.75000000  0.15853365  0.70030248  1.0
  Re  Re12  1  0.25000000  0.39129253  0.67907029  1.0
  Si  Si13  1  0.25000000  0.01126136  0.82199009  1.0
  Si  Si14  1  0.25000000  0.48742269  0.32213181  1.0
  Si  Si15  1  0.75000000  0.98708650  0.17851469  1.0
  Si  Si16  1  0.75000000  0.51349216  0.67994614  1.0
  Si  Si17  1  0.25000000  0.24737848  0.84232013  1.0
  Si  Si18  1  0.25000000  0.25198425  0.34098044  1.0
  Si  Si19  1  0.75000000  0.75187096  0.15824323  1.0
  Si  Si20  1  0.75000000  0.75168923  0.65713360  1.0
  Si  Si21  1  0.25000000  0.19811729  0.54357745  1.0
  Si  Si22  1  0.25000000  0.29995277  0.04432554  1.0
  Si  Si23  1  0.75000000  0.80262436  0.45503874  1.0
  Si  Si24  1  0.75000000  0.69606370  0.95593051  1.0
  Ir  Ir25  1  0.25000000  0.10955286  0.17911705  1.0
  Ir  Ir26  1  0.75000000  0.61068323  0.32080864  1.0
  Ir  Ir27  1  0.75000000  0.88871725  0.82215434  1.0