data_[La2Y6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6875]
_cell_length_b [4.1819]
_cell_length_c [11.9737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(YSe2)3]
_chemical_formula_sum '[La2 Y6 Se12]'
_cell_volume [552.8998]
_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  0.0487  0.7500  0.6952  1.0
  Y  Y1  2  0.1588  0.7500  0.0866  1.0
  Y  Y2  2  0.3197  0.2500  0.5004  1.0
  Y  Y3  2  0.4412  0.7500  0.8339  1.0
  Se  Se4  2  0.0840  0.2500  0.9063  1.0
  Se  Se5  2  0.1188  0.7500  0.4645  1.0
  Se  Se6  2  0.1969  0.2500  0.2501  1.0
  Se  Se7  2  0.2644  0.2500  0.7282  1.0
  Se  Se8  2  0.3925  0.7500  0.0577  1.0
  Se  Se9  2  0.4806  0.7500  0.6136  1.0
]