data_[Zr8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0571]
_cell_length_b [3.2731]
_cell_length_c [7.2137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2In]
_chemical_formula_sum '[Zr8 In4]'
_cell_volume [275.5107]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.1419  0.5000  0.5301  1.0
  Zr  Zr1  4  0.1919  0.5000  0.1308  1.0
  In  In2  4  0.0298  0.0000  0.8030  1.0
]