data_[Y4Er12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7973]
_cell_length_b [4.5045]
_cell_length_c [9.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YEr3Sn2]
_chemical_formula_sum '[Y4 Er12 Sn8]'
_cell_volume [695.6926]
_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  0.1138  0.0000  0.1256  1
  Er  Er1  4  0.0556  0.0000  0.6889  1
  Er  Er2  4  0.1464  0.5000  0.4838  1
  Er  Er3  4  0.1916  0.5000  0.8909  1
  Sn  Sn4  4  0.0072  0.5000  0.8514  1
  Sn  Sn5  4  0.2457  0.0000  0.7181  1
]