data_[Sr12Ge4S2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4111]
_cell_length_b [7.7705]
_cell_length_c [13.0219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Ge2SN]
_chemical_formula_sum '[Sr12 Ge4 S2 N2]'
_cell_volume [616.0752]
_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  4  0.1404  0.0309  0.7344  1.0
  Sr  Sr1  4  0.2300  0.7143  0.5494  1.0
  Sr  Sr2  4  0.3360  0.1842  0.5482  1.0
  Ge  Ge3  4  0.2671  0.0629  0.2487  1.0
  S  S4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]