data_[Na2Th1Pb1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3800]
_cell_length_b [4.3370]
_cell_length_c [7.5593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2ThPbSe4]
_chemical_formula_sum '[Na2 Th1 Pb1 Se4]'
_cell_volume [228.4417]
_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  0.0000  0.5000  1
  Na  Na1  1  0.5000  0.5000  0.0000  1
  Th  Th2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2348  0.5000  0.2314  1
  Se  Se5  2  0.2394  0.0000  0.7647  1
]