data_[Sm4Ge4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1035]
_cell_length_b [10.9418]
_cell_length_c [5.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ge2S7]
_chemical_formula_sum '[Sm4 Ge4 S14]'
_cell_volume [584.5845]
_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
[
  Sm  Sm0  4  0.0000  0.2946  0.5000  1
  Ge  Ge1  4  0.2321  0.0000  0.9160  1
  S  S2  8  0.2459  0.3280  0.2743  1
  S  S3  4  0.0956  0.5000  0.7636  1
  S  S4  2  0.0000  0.0000  0.0000  1
]