data_[Pr2Sm2Mg4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4961]
_cell_length_b [4.4961]
_cell_length_c [16.1745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PrSm(MgSn)2]
_chemical_formula_sum '[Pr2 Sm2 Mg4 Sn4]'
_cell_volume [326.9715]
_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  2  0.0000  0.0000  0.3344  1
  Sm  Sm1  2  0.0000  0.0000  0.6654  1
  Mg  Mg2  4  0.0000  0.5000  0.0001  1
  Sn  Sn3  2  0.0000  0.0000  0.1330  1
  Sn  Sn4  2  0.0000  0.0000  0.8669  1
]