# generated using pymatgen
data_CaNdUIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34724206
_cell_length_b   5.34724210
_cell_length_c   5.34724186
_cell_angle_alpha   66.16065460
_cell_angle_beta   66.16066816
_cell_angle_gamma   66.16065935
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNdUIr3
_chemical_formula_sum   'Ca1 Nd1 U1 Ir3'
_cell_volume   122.50399822
_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  0.99860828  0.99860828  0.99860828  1.0
  Nd  Nd1  1  0.24452950  0.24452950  0.24452950  1.0
  U  U2  1  0.62740464  0.62740464  0.62740464  1.0
  Ir  Ir3  1  0.12681286  0.62632236  0.62632236  1.0
  Ir  Ir4  1  0.62632236  0.12681286  0.62632236  1.0
  Ir  Ir5  1  0.62632236  0.62632236  0.12681286  1.0