data_[La10Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4788]
_cell_length_b [12.9162]
_cell_length_c [7.4384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Se6]
_chemical_formula_sum '[La10 Se12]'
_cell_volume [677.5381]
_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  4  0.0000  0.1635  0.5000  1.0
  La  La1  4  0.0000  0.3337  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Se  Se3  8  0.2492  0.3329  0.7490  1.0
  Se  Se4  4  0.2495  0.5000  0.2460  1.0
]