data_[Pr6Mg8In8]
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 [Immm]
_cell_length_a [4.8413]
_cell_length_b [7.6411]
_cell_length_c [15.9641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(MgIn)4]
_chemical_formula_sum '[Pr6 Mg8 In8]'
_cell_volume [590.5680]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1227  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg2  8  0.0000  0.1953  0.3286  1.0
  In  In3  4  0.0000  0.3063  0.5000  1.0
  In  In4  4  0.0000  0.5000  0.2157  1.0
]