data_[Y12Mg10Sn2]
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 [Cmmm]
_cell_length_a [5.3647]
_cell_length_b [16.1333]
_cell_length_c [7.5179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y6Mg5Sn]
_chemical_formula_sum '[Y12 Mg10 Sn2]'
_cell_volume [650.6700]
_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
[
  Y  Y0  8  0.0000  0.1660  0.2513  1
  Y  Y1  4  0.0000  0.5000  0.2484  1
  Mg  Mg2  4  0.0000  0.3272  0.0000  1
  Mg  Mg3  4  0.0000  0.3335  0.5000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
]