data_[Na6Pm4Dy2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0375]
_cell_length_b [12.1881]
_cell_length_c [7.0887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pm2DyS6]
_chemical_formula_sum '[Na6 Pm4 Dy2 S12]'
_cell_volume [573.7370]
_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  0.0000  0.1666  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Pm  Pm2  4  0.0000  0.3334  0.0000  1
  Dy  Dy3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2402  0.1634  0.2304  1
  S  S5  4  0.2499  0.5000  0.2294  1
]