# generated using pymatgen
data_Ca9LaIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61619689
_cell_length_b   8.61619728
_cell_length_c   7.57947965
_cell_angle_alpha   82.84708188
_cell_angle_beta   82.84708030
_cell_angle_gamma   44.86063767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9LaIr4
_chemical_formula_sum   'Ca9 La1 Ir4'
_cell_volume   393.29645654
_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  0.02106788  0.80304582  0.91270374  1.0
  Ca  Ca1  1  0.19695418  0.97893212  0.58729626  1.0
  Ca  Ca2  1  0.98080726  0.19593913  0.07891940  1.0
  Ca  Ca3  1  0.80406087  0.01919274  0.42108060  1.0
  Ca  Ca4  1  0.36446262  0.20373851  0.82302882  1.0
  Ca  Ca5  1  0.79626149  0.63553738  0.67697118  1.0
  Ca  Ca6  1  0.63968806  0.80183372  0.17726411  1.0
  Ca  Ca7  1  0.19816628  0.36031194  0.32273589  1.0
  Ca  Ca8  1  0.57009609  0.42990391  0.75000000  1.0
  La  La9  1  0.43606080  0.56393920  0.25000000  1.0
  Ir  Ir10  1  0.17952796  0.60170412  0.57451355  1.0
  Ir  Ir11  1  0.39829588  0.82047204  0.92548645  1.0
  Ir  Ir12  1  0.81506565  0.40051505  0.41265104  1.0
  Ir  Ir13  1  0.59948495  0.18493435  0.08734896  1.0