data_[Sr16In20Ge24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6416]
_cell_length_b [21.0209]
_cell_length_c [16.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr4In5Ge6]
_chemical_formula_sum '[Sr16 In20 Ge24]'
_cell_volume [1656.3919]
_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
[
  Sr  Sr0  4  0.0000  0.0097  0.5008  1
  Sr  Sr1  4  0.0000  0.0363  0.7698  1
  Sr  Sr2  4  0.0000  0.1615  0.3040  1
  Sr  Sr3  4  0.0000  0.1784  0.9462  1
  In  In4  4  0.0000  0.1507  0.6274  1
  In  In5  4  0.0000  0.3006  0.6211  1
  In  In6  4  0.0000  0.3430  0.2764  1
  In  In7  4  0.0000  0.3589  0.9759  1
  In  In8  4  0.0000  0.4416  0.6819  1
  Ge  Ge9  4  0.0000  0.1145  0.1148  1
  Ge  Ge10  4  0.0000  0.2166  0.4845  1
  Ge  Ge11  4  0.0000  0.2309  0.7645  1
  Ge  Ge12  4  0.0000  0.4277  0.1297  1
  Ge  Ge13  4  0.0000  0.4308  0.4043  1
  Ge  Ge14  4  0.0000  0.4523  0.8541  1
]