data_[Na6Mn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.2619]
_cell_length_b [4.3192]
_cell_length_c [11.8303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na3MnS3]
_chemical_formula_sum '[Na6 Mn2 S6]'
_cell_volume [1035.3334]
_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  4  0.1298  0.4890  0.2823  1
  Na  Na1  2  0.0000  0.4895  0.4882  1
  Mn  Mn2  2  0.0000  0.0104  0.8009  1
  S  S3  4  0.0958  0.0107  0.8997  1
  S  S4  2  0.0000  0.4902  0.2208  1
]