# generated using pymatgen
data_Ca(Nd2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83575258
_cell_length_b   8.83575220
_cell_length_c   7.36807228
_cell_angle_alpha   83.56361144
_cell_angle_beta   83.56360872
_cell_angle_gamma   44.66443163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Nd2Ir)2
_chemical_formula_sum   'Ca2 Nd8 Ir4'
_cell_volume   401.37890993
_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  0.01591396  0.79853716  0.91437390  1.0
  Ca  Ca1  1  0.20146284  0.98408604  0.58562610  1.0
  Nd  Nd2  1  0.97763868  0.20481748  0.08285194  1.0
  Nd  Nd3  1  0.79518252  0.02236132  0.41714806  1.0
  Nd  Nd4  1  0.35327365  0.21208480  0.82143534  1.0
  Nd  Nd5  1  0.78791520  0.64672635  0.67856466  1.0
  Nd  Nd6  1  0.66303688  0.77808670  0.18273857  1.0
  Nd  Nd7  1  0.22191330  0.33696312  0.31726143  1.0
  Nd  Nd8  1  0.55846385  0.44153615  0.75000000  1.0
  Nd  Nd9  1  0.42509365  0.57490635  0.25000000  1.0
  Ir  Ir10  1  0.17313648  0.59141559  0.56715429  1.0
  Ir  Ir11  1  0.40858441  0.82686352  0.93284571  1.0
  Ir  Ir12  1  0.81630095  0.39791636  0.42409422  1.0
  Ir  Ir13  1  0.60208364  0.18369905  0.07590578  1.0