# generated using pymatgen
data_CaPrTiIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19841792
_cell_length_b   5.19841846
_cell_length_c   5.19841947
_cell_angle_alpha   66.36129791
_cell_angle_beta   66.36129039
_cell_angle_gamma   66.36128653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrTiIr3
_chemical_formula_sum   'Ca1 Pr1 Ti1 Ir3'
_cell_volume   112.96227747
_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  0.99876783  0.99876783  0.99876783  1.0
  Pr  Pr1  1  0.24852977  0.24852977  0.24852977  1.0
  Ti  Ti2  1  0.62446863  0.62446863  0.62446863  1.0
  Ir  Ir3  1  0.12381403  0.62720987  0.62720987  1.0
  Ir  Ir4  1  0.62720987  0.12381403  0.62720987  1.0
  Ir  Ir5  1  0.62720987  0.62720987  0.12381403  1.0