# generated using pymatgen
data_Ca9NdIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59995151
_cell_length_b   8.59995213
_cell_length_c   7.56861437
_cell_angle_alpha   82.82944613
_cell_angle_beta   82.82945447
_cell_angle_gamma   44.82102065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9NdIr4
_chemical_formula_sum   'Ca9 Nd1 Ir4'
_cell_volume   390.96446690
_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  0.02456836  0.80156192  0.41526870  1.0
  Ca  Ca1  1  0.19843808  0.97543164  0.08473130  1.0
  Ca  Ca2  1  0.97940490  0.19617668  0.58080406  1.0
  Ca  Ca3  1  0.80382332  0.02059510  0.91919594  1.0
  Ca  Ca4  1  0.36261381  0.20438605  0.32270276  1.0
  Ca  Ca5  1  0.79561395  0.63738619  0.17729724  1.0
  Ca  Ca6  1  0.63944159  0.79982121  0.67727624  1.0
  Ca  Ca7  1  0.20017879  0.36055841  0.82272376  1.0
  Ca  Ca8  1  0.57144611  0.42855389  0.25000000  1.0
  Nd  Nd9  1  0.43460077  0.56539923  0.75000000  1.0
  Ir  Ir10  1  0.17813326  0.60389727  0.07526896  1.0
  Ir  Ir11  1  0.39610273  0.82186674  0.42473104  1.0
  Ir  Ir12  1  0.81617290  0.40053858  0.91374596  1.0
  Ir  Ir13  1  0.59946142  0.18382710  0.58625404  1.0