data_[Na2Sm2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/m]
_cell_length_a [6.5744]
_cell_length_b [6.6846]
_cell_length_c [8.0458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSmGeS4]
_chemical_formula_sum '[Na2 Sm2 Ge2 S8]'
_cell_volume [340.5545]
_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
[
  Na  Na0  2  0.2452  0.2500  0.0620  1.0
  Sm  Sm1  2  0.2247  0.2500  0.5566  1.0
  Ge  Ge2  2  0.2384  0.7500  0.3113  1.0
  S  S3  4  0.0089  0.0044  0.2674  1.0
  S  S4  2  0.4244  0.7500  0.5867  1.0
  S  S5  2  0.4450  0.7500  0.1392  1.0
]