# generated using pymatgen
data_Ca9LuIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53852625
_cell_length_b   8.53852613
_cell_length_c   7.52898369
_cell_angle_alpha   82.64136060
_cell_angle_beta   82.64136058
_cell_angle_gamma   44.52163100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9LuIr4
_chemical_formula_sum   'Ca9 Lu1 Ir4'
_cell_volume   381.18114009
_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  0.42310760  0.57689240  0.75000000  1.0
  Ca  Ca1  1  0.36559194  0.19888951  0.32236701  1.0
  Ca  Ca2  1  0.19946179  0.97450585  0.08213173  1.0
  Ca  Ca3  1  0.79494298  0.03394663  0.92138945  1.0
  Ca  Ca4  1  0.96605337  0.20505702  0.57861055  1.0
  Ca  Ca5  1  0.63706922  0.79700111  0.67690715  1.0
  Ca  Ca6  1  0.20299889  0.36293078  0.82309285  1.0
  Ca  Ca7  1  0.80111049  0.63440806  0.17763299  1.0
  Ca  Ca8  1  0.02549415  0.80053821  0.41786827  1.0
  Lu  Lu9  1  0.56327501  0.43672499  0.25000000  1.0
  Ir  Ir10  1  0.40890871  0.80414697  0.41238829  1.0
  Ir  Ir11  1  0.19585303  0.59109129  0.08761171  1.0
  Ir  Ir12  1  0.81272727  0.39659546  0.93191408  1.0
  Ir  Ir13  1  0.60340454  0.18727273  0.56808592  1.0