data_[Zr12In4Ge4]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.9374]
_cell_length_b [13.1606]
_cell_length_c [3.6928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr3InGe]
_chemical_formula_sum '[Zr12 In4 Ge4]'
_cell_volume [482.9566]
_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  8  0.1899  0.1178  0.0000  1
  Zr  Zr1  4  0.0000  0.3057  0.5000  1
  In  In2  2  0.0000  0.0000  0.5000  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.2500  0.2500  0.5000  1
]