data_[La6Pr1Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1718]
_cell_length_b [6.1955]
_cell_length_c [8.9651]
_cell_angle_alpha [109.9368]
_cell_angle_beta [103.7112]
_cell_angle_gamma [91.1246]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La6PrIr4]
_chemical_formula_sum '[La6 Pr1 Ir4]'
_cell_volume [311.1733]
_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
[
  La  La0  1  0.0061  0.4902  0.9930  1
  La  La1  1  0.0652  0.0491  0.6223  1
  La  La2  1  0.4622  0.8883  0.3410  1
  La  La3  1  0.4980  0.1692  0.9992  1
  La  La4  1  0.5370  0.5517  0.6597  1
  La  La5  1  0.9335  0.4297  0.3764  1
  Pr  Pr6  1  0.9970  0.9998  0.0065  1
  Ir  Ir7  1  0.0663  0.6097  0.7227  1
  Ir  Ir8  1  0.3816  0.3646  0.2915  1
  Ir  Ir9  1  0.6191  0.0796  0.7100  1
  Ir  Ir10  1  0.9337  0.8682  0.2774  1
]