data_[Na2Gd2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Gd  1.2000  1.8000  1.0750
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9298]
_cell_length_b [4.0591]
_cell_length_c [10.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGdMgS3]
_chemical_formula_sum '[Na2 Gd2 Mg2 S6]'
_cell_volume [327.2595]
_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  0.3305  0.7500  0.8670  1
  Gd  Gd1  2  0.1664  0.2500  0.1454  1
  Mg  Mg2  2  0.4444  0.7500  0.3871  1
  S  S3  2  0.0732  0.2500  0.8732  1
  S  S4  2  0.2909  0.2500  0.4236  1
  S  S5  2  0.4166  0.7500  0.1529  1
]