data_[Pr6Mg45In6]
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 [R-3m]
_cell_length_a [10.2946]
_cell_length_b [10.2946]
_cell_length_c [15.1705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Mg15In2]
_chemical_formula_sum '[Pr6 Mg45 In6]'
_cell_volume [1392.3538]
_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  6  0.0000  0.0000  0.3254  1
  Mg  Mg1  18  0.0000  0.3075  0.0000  1
  Mg  Mg2  18  0.0093  0.5047  0.1543  1
  Mg  Mg3  9  0.0000  0.5000  0.5000  1
  In  In4  6  0.0000  0.0000  0.0993  1
]