data_[Zn1In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.4513]
_cell_length_b [5.7054]
_cell_length_c [8.0309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnIn5]
_chemical_formula_sum '[Zn1 In5]'
_cell_volume [155.0476]
_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
[
  Zn  Zn0  1  0.2357  0.5000  0.4371  1.0
  In  In1  1  0.3313  0.0000  0.6710  1.0
  In  In2  1  0.5525  0.5000  0.1236  1.0
  In  In3  1  0.6497  0.0000  0.3465  1.0
  In  In4  1  0.9086  0.5000  0.7505  1.0
  In  In5  1  0.9888  0.0000  0.0047  1.0
]