# generated using pymatgen
data_Ca9LaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83094450
_cell_length_b   7.62684993
_cell_length_c   16.01623303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.48214862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9LaIr2
_chemical_formula_sum   'Ca18 La2 Ir4'
_cell_volume   834.14396344
_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  0.85973533  0.19510416  0.56141459  1.0
  Ca  Ca1  1  0.82123099  0.46544889  0.14742405  1.0
  Ca  Ca2  1  0.17876901  0.53455111  0.64742405  1.0
  Ca  Ca3  1  0.35478039  0.31062715  0.06465973  1.0
  Ca  Ca4  1  0.34243186  0.59408504  0.25000000  1.0
  Ca  Ca5  1  0.82123099  0.46544889  0.35257595  1.0
  Ca  Ca6  1  0.32203241  0.03308096  0.85485564  1.0
  Ca  Ca7  1  0.14026467  0.80489584  0.06141459  1.0
  Ca  Ca8  1  0.64521961  0.68937285  0.56465973  1.0
  Ca  Ca9  1  0.67796759  0.96691904  0.35485564  1.0
  Ca  Ca10  1  0.64521961  0.68937285  0.93534027  1.0
  Ca  Ca11  1  0.32203241  0.03308096  0.64514436  1.0
  Ca  Ca12  1  0.14026467  0.80489584  0.43858541  1.0
  Ca  Ca13  1  0.65756814  0.40591496  0.75000000  1.0
  Ca  Ca14  1  0.17876901  0.53455111  0.85257595  1.0
  Ca  Ca15  1  0.35478039  0.31062715  0.43534027  1.0
  Ca  Ca16  1  0.67796759  0.96691904  0.14514436  1.0
  Ca  Ca17  1  0.85973533  0.19510416  0.93858541  1.0
  La  La18  1  0.16340246  0.08356177  0.25000000  1.0
  La  La19  1  0.83659754  0.91643823  0.75000000  1.0
  Ir  Ir20  1  0.02658060  0.22699482  0.75000000  1.0
  Ir  Ir21  1  0.48119766  0.74399341  0.75000000  1.0
  Ir  Ir22  1  0.51880234  0.25600659  0.25000000  1.0
  Ir  Ir23  1  0.97341940  0.77300518  0.25000000  1.0