data_[Nd4Mg2Ti4S4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9746]
_cell_length_b [3.9746]
_cell_length_c [22.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd2MgTi2S2O5]
_chemical_formula_sum '[Nd4 Mg2 Ti4 S4 O10]'
_cell_volume [358.3440]
_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
[
  Nd  Nd0  4  0.0000  0.0000  0.3344  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Ti  Ti2  4  0.0000  0.0000  0.0842  1
  S  S3  4  0.0000  0.0000  0.2029  1
  O  O4  8  0.0000  0.5000  0.0942  1
  O  O5  2  0.0000  0.0000  0.0000  1
]