data_[Pr24Mg4Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.0120]
_cell_length_b [11.9876]
_cell_length_c [9.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr6MgSn3]
_chemical_formula_sum '[Pr24 Mg4 Sn12]'
_cell_volume [1299.0348]
_cell_formula_units_Z [4]
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  8  0.0000  0.1659  0.0059  1.0
  Pr  Pr1  8  0.1751  0.5000  0.0000  1.0
  Pr  Pr2  8  0.2497  0.2548  0.2500  1.0
  Mg  Mg3  4  0.0000  0.3789  0.7500  1.0
  Sn  Sn4  8  0.1289  0.0011  0.2500  1.0
  Sn  Sn5  4  0.0000  0.3727  0.2500  1.0
]