data_[Y5Zn4In1]
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 [P4/mmm]
_cell_length_a [3.5949]
_cell_length_b [3.5949]
_cell_length_c [18.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Y5Zn4In]
_chemical_formula_sum '[Y5 Zn4 In1]'
_cell_volume [236.8932]
_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  2  0.5000  0.5000  0.1129  1
  Y  Y1  2  0.5000  0.5000  0.3058  1
  Y  Y2  1  0.5000  0.5000  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.2104  1
  Zn  Zn4  2  0.0000  0.0000  0.4019  1
  In  In5  1  0.0000  0.0000  0.0000  1
]