data_[Na4Gd4Mn4S12]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9785]
_cell_length_b [12.8502]
_cell_length_c [10.7503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaGdMnS3]
_chemical_formula_sum '[Na4 Gd4 Mn4 S12]'
_cell_volume [549.6079]
_cell_formula_units_Z [4]
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  4  0.0000  0.2481  0.2500  1
  Gd  Gd1  4  0.0000  0.0000  0.0000  1
  Mn  Mn2  4  0.0000  0.4690  0.7500  1
  S  S3  8  0.0000  0.3647  0.5739  1
  S  S4  4  0.0000  0.0778  0.7500  1
]