data_[Y8Mg4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2251]
_cell_length_b [6.2876]
_cell_length_c [6.2820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2MgSn3]
_chemical_formula_sum '[Y8 Mg4 Sn12]'
_cell_volume [630.9582]
_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
[
  Y  Y0  8  0.1630  0.3558  0.0870  1.0
  Mg  Mg1  4  0.0000  0.0334  0.2500  1.0
  Sn  Sn2  8  0.1674  0.1385  0.5757  1.0
  Sn  Sn3  4  0.0000  0.4614  0.7500  1.0
]