# generated using pymatgen
data_CaPrNpIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83257654
_cell_length_b   5.83257598
_cell_length_c   5.35396824
_cell_angle_alpha   56.99607362
_cell_angle_beta   56.99606172
_cell_angle_gamma   60.00000566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPrNpIr3
_chemical_formula_sum   'Ca1 Pr1 Np1 Ir3'
_cell_volume   122.62872456
_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  0.99854866  0.99854866  0.00435301  1.0
  Pr  Pr1  1  0.24497733  0.24497733  0.26506902  1.0
  Np  Np2  1  0.62648693  0.62648693  0.12053922  1.0
  Ir  Ir3  1  0.62722536  0.62722536  0.62001292  1.0
  Ir  Ir4  1  0.12553635  0.62722536  0.62001292  1.0
  Ir  Ir5  1  0.62722536  0.12553635  0.62001292  1.0