data_[La4Zn2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8672]
_cell_length_b [6.9858]
_cell_length_c [8.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2ZnSe4]
_chemical_formula_sum '[La4 Zn2 Se8]'
_cell_volume [379.1720]
_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
[
  La  La0  2  0.2603  0.2500  0.4401  1.0
  La  La1  2  0.2736  0.2500  0.9424  1.0
  Zn  Zn2  2  0.2574  0.7500  0.1908  1.0
  Se  Se3  4  0.4896  0.5102  0.7443  1.0
  Se  Se4  2  0.0580  0.7500  0.8919  1.0
  Se  Se5  2  0.0591  0.7500  0.3892  1.0
]