data_[Na8Nd4Mn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1224]
_cell_length_b [10.9860]
_cell_length_c [7.9190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2NdMnS4]
_chemical_formula_sum '[Na8 Nd4 Mn4 S16]'
_cell_volume [704.8228]
_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  0.5000  0.0000  1.0
  Na  Na1  4  0.2500  0.2500  0.5000  1.0
  Nd  Nd2  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn3  4  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.0052  0.2219  0.5082  1.0
  S  S5  8  0.2231  0.0018  0.5125  1.0
]