data_[Y12Zn2In4]
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 [P2_1/c]
_cell_length_a [6.1732]
_cell_length_b [8.7587]
_cell_length_c [11.0917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6ZnIn2]
_chemical_formula_sum '[Y12 Zn2 In4]'
_cell_volume [525.0174]
_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  4  0.1040  0.0274  0.2111  1
  Y  Y1  4  0.1471  0.6766  0.0581  1
  Y  Y2  4  0.4546  0.1721  0.0616  1
  Zn  Zn3  2  0.5000  0.0000  0.5000  1
  In  In4  4  0.3311  0.1283  0.7503  1
]