data_[Pr24Mg3Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9371]
_cell_length_b [8.9371]
_cell_length_c [18.9831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr8MgGa6]
_chemical_formula_sum '[Pr24 Mg3 Ga18]'
_cell_volume [1313.0865]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  18  0.0035  0.3172  0.1092  1
  Pr  Pr1  6  0.0000  0.0000  0.3350  1
  Mg  Mg2  3  0.0000  0.0000  0.0000  1
  Ga  Ga3  18  0.0025  0.3276  0.9446  1
]