# generated using pymatgen
data_Ca2UIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27389360
_cell_length_b   5.27491571
_cell_length_c   5.27450661
_cell_angle_alpha   66.80426950
_cell_angle_beta   66.80860053
_cell_angle_gamma   66.80448089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2UIr3
_chemical_formula_sum   'Ca2 U1 Ir3'
_cell_volume   118.92045720
_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  0.24751202  0.24749673  0.24748451  1.0
  Ca  Ca1  1  0.00248798  0.00250327  0.00251549  1.0
  U  U2  1  0.62500000  0.62500000  0.62500000  1.0
  Ir  Ir3  1  0.12500000  0.62500000  0.62500000  1.0
  Ir  Ir4  1  0.62500000  0.12500000  0.62500000  1.0
  Ir  Ir5  1  0.62500000  0.62500000  0.12500000  1.0