data_[Zn4In10]
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 [P31m]
_cell_length_a [8.3493]
_cell_length_b [8.3493]
_cell_length_c [18.2512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Zn2In5]
_chemical_formula_sum '[Zn4 In10]'
_cell_volume [1101.8543]
_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
[
  Zn  Zn0  3  0.0000  0.6850  0.4297  1
  Zn  Zn1  1  0.0000  0.0000  0.4244  1
  In  In2  6  0.2114  0.7866  0.5728  1
  In  In3  3  0.0000  0.3615  0.4179  1
  In  In4  1  0.0000  0.0000  0.5960  1
]