data_[Y2Zn3Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6547]
_cell_length_b [4.5182]
_cell_length_c [7.8502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y2Zn3Sn]
_chemical_formula_sum '[Y2 Zn3 Sn1]'
_cell_volume [129.6298]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5122  1.0
  Y  Y1  1  0.0000  0.5000  0.9920  1.0
  Zn  Zn2  1  0.5000  0.0000  0.1482  1.0
  Zn  Zn3  1  0.5000  0.0000  0.8300  1.0
  Zn  Zn4  1  0.5000  0.5000  0.6820  1.0
  Sn  Sn5  1  0.5000  0.5000  0.3356  1.0
]