data_[Y2Mg6Sn12]
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 [P2_1/m]
_cell_length_a [10.1133]
_cell_length_b [4.4920]
_cell_length_c [11.0829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(MgSn2)3]
_chemical_formula_sum '[Y2 Mg6 Sn12]'
_cell_volume [502.9957]
_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  2  0.0537  0.2500  0.3753  1
  Mg  Mg1  2  0.2541  0.2500  0.9998  1
  Mg  Mg2  2  0.3533  0.7500  0.8011  1
  Mg  Mg3  2  0.4529  0.2500  0.5973  1
  Sn  Sn4  2  0.0669  0.7500  0.9038  1
  Sn  Sn5  2  0.1537  0.7500  0.1888  1
  Sn  Sn6  2  0.1736  0.2500  0.6892  1
  Sn  Sn7  2  0.2548  0.7500  0.4993  1
  Sn  Sn8  2  0.3631  0.2500  0.3019  1
  Sn  Sn9  2  0.4502  0.7500  0.0970  1
]