data_[Na1Ce1Pr2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0637]
_cell_length_b [4.0882]
_cell_length_c [7.1019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCe(PrS2)2]
_chemical_formula_sum '[Na1 Ce1 Pr2 S4]'
_cell_volume [193.5344]
_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  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr2  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2520  0.0000  0.7556  1.0
  S  S5  2  0.2525  0.5000  0.2483  1.0
]