data_[Na1Dy1Tm2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7600]
_cell_length_b [3.8649]
_cell_length_c [6.7705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaDy(TmS2)2]
_chemical_formula_sum '[Na1 Dy1 Tm2 S4]'
_cell_volume [167.2548]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Dy  Dy1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.0000  0.5000  0.5000  1
  Tm  Tm3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2439  0.0000  0.7401  1
  S  S5  2  0.2518  0.5000  0.2558  1
]