data_[La4Y2Er6Se12]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1209]
_cell_length_b [4.0902]
_cell_length_c [8.3864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y(ErSe2)3]
_chemical_formula_sum '[La4 Y2 Er6 Se12]'
_cell_volume [601.4538]
_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  0.1666  0.0000  0.3335  1
  Y  Y1  2  0.0000  0.5000  0.0000  1
  Er  Er2  4  0.1693  0.0000  0.8336  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0061  0.0000  0.7495  1
  Se  Se5  4  0.1614  0.5000  0.5956  1
  Se  Se6  4  0.1664  0.5000  0.0674  1
]