data_[Zr10In2]
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 [Cm]
_cell_length_a [11.7586]
_cell_length_b [3.1948]
_cell_length_c [7.6810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr5In]
_chemical_formula_sum '[Zr10 In2]'
_cell_volume [278.4109]
_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
[
  Zr  Zr0  2  0.0613  0.0000  0.6113  1.0
  Zr  Zr1  2  0.1714  0.5000  0.3260  1.0
  Zr  Zr2  2  0.2141  0.5000  0.9487  1.0
  Zr  Zr3  2  0.3328  0.0000  0.6684  1.0
  Zr  Zr4  2  0.3955  0.0000  0.2854  1.0
  In  In5  2  0.4915  0.5000  0.9935  1.0
]