data_[Y4Mg4Sn12]
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 [Pbcm]
_cell_length_a [13.3800]
_cell_length_b [6.0420]
_cell_length_c [6.3697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YMgSn3]
_chemical_formula_sum '[Y4 Mg4 Sn12]'
_cell_volume [514.9375]
_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  4  0.3104  0.0037  0.7500  1.0
  Mg  Mg1  4  0.1123  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0822  0.7033  0.2500  1.0
  Sn  Sn3  4  0.2714  0.5047  0.7500  1.0
  Sn  Sn4  4  0.4997  0.7500  0.0000  1.0
]