data_[Sr2Ga2Ge6]
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 [P2_1/m]
_cell_length_a [4.4812]
_cell_length_b [8.6259]
_cell_length_c [6.7143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrGaGe3]
_chemical_formula_sum '[Sr2 Ga2 Ge6]'
_cell_volume [247.4366]
_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
[
  Sr  Sr0  2  0.0009  0.2500  0.9985  1
  Ga  Ga1  2  0.2964  0.2500  0.5928  1
  Ge  Ge2  4  0.4488  0.0020  0.8077  1
  Ge  Ge3  2  0.2986  0.7500  0.6060  1
]