# generated using pymatgen
data_Ca(La4Ir3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77353263
_cell_length_b   7.77353289
_cell_length_c   7.77353299
_cell_angle_alpha   69.46999185
_cell_angle_beta   69.46999508
_cell_angle_gamma   69.46998823
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(La4Ir3)2
_chemical_formula_sum   'Ca1 La8 Ir6'
_cell_volume   397.83665452
_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  0.00000000  0.00000000  0.00000000  1.0
  La  La1  1  0.80643328  0.80643328  0.80643328  1.0
  La  La2  1  0.19356672  0.19356672  0.19356672  1.0
  La  La3  1  0.14351904  0.38974300  0.67860755  1.0
  La  La4  1  0.67860755  0.14351904  0.38974300  1.0
  La  La5  1  0.38974300  0.67860755  0.14351904  1.0
  La  La6  1  0.85648096  0.61025700  0.32139245  1.0
  La  La7  1  0.32139245  0.85648096  0.61025700  1.0
  La  La8  1  0.61025700  0.32139245  0.85648096  1.0
  Ir  Ir9  1  0.95030415  0.18213446  0.57941982  1.0
  Ir  Ir10  1  0.57941982  0.95030415  0.18213446  1.0
  Ir  Ir11  1  0.18213446  0.57941982  0.95030415  1.0
  Ir  Ir12  1  0.04969585  0.81786554  0.42058018  1.0
  Ir  Ir13  1  0.42058018  0.04969585  0.81786554  1.0
  Ir  Ir14  1  0.81786554  0.42058018  0.04969585  1.0