data_[Pr9Mg3Cu24]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2728]
_cell_length_b [5.2728]
_cell_length_c [25.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3MgCu8]
_chemical_formula_sum '[Pr9 Mg3 Cu24]'
_cell_volume [623.7333]
_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  3  0.0000  0.0000  0.0057  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4961  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6206  1.0
  Mg  Mg3  3  0.0000  0.0000  0.1284  1.0
  Cu  Cu4  9  0.1691  0.3383  0.8937  1.0
  Cu  Cu5  9  0.1705  0.3410  0.3978  1.0
  Cu  Cu6  3  0.0000  0.0000  0.3133  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8115  1.0
]