data_[Pr8Mg12In16]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.4347]
_cell_length_b [17.1479]
_cell_length_c [8.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Mg3In4]
_chemical_formula_sum '[Pr8 Mg12 In16]'
_cell_volume [939.8783]
_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  0.1030  0.4014  1
  Mg  Mg1  8  0.2500  0.2333  0.7500  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  In  In3  8  0.0000  0.1724  0.0220  1
  In  In4  8  0.2500  0.0615  0.7500  1
]