data_[Na1La2In1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6229]
_cell_length_b [4.4023]
_cell_length_c [7.8072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaLa2InSe4]
_chemical_formula_sum '[Na1 La2 In1 Se4]'
_cell_volume [247.4887]
_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  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  La  La2  1  0.5000  0.5000  0.0000  1.0
  In  In3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2443  0.5000  0.2260  1.0
  Se  Se5  2  0.2605  0.0000  0.7784  1.0
]