data_[Sr12Ga4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.6084]
_cell_length_b [4.4242]
_cell_length_c [13.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3GaGe2]
_chemical_formula_sum '[Sr12 Ga4 Ge8]'
_cell_volume [732.9528]
_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  0.0721  0.2500  0.6166  1
  Sr  Sr1  4  0.1212  0.7500  0.0535  1
  Sr  Sr2  4  0.1916  0.2500  0.3025  1
  Ga  Ga3  4  0.1416  0.2500  0.8537  1
  Ge  Ge4  4  0.0337  0.7500  0.8182  1
  Ge  Ge5  4  0.1984  0.7500  0.4839  1
]