data_[Y2Zn1In3]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6383]
_cell_length_b [4.7835]
_cell_length_c [8.3718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y2ZnIn3]
_chemical_formula_sum '[Y2 Zn1 In3]'
_cell_volume [145.7010]
_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  0.4952  1
  Y  Y1  1  0.0000  0.5000  0.0075  1
  Zn  Zn2  1  0.5000  0.5000  0.3296  1
  In  In3  1  0.5000  0.0000  0.1797  1
  In  In4  1  0.5000  0.0000  0.8368  1
  In  In5  1  0.5000  0.5000  0.6512  1
]