data_[Li2Nd2Y2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  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 [8.4809]
_cell_length_b [4.0286]
_cell_length_c [8.8550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdYSe3]
_chemical_formula_sum '[Li2 Nd2 Y2 Se6]'
_cell_volume [294.9234]
_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
[
  Li  Li0  2  0.0863  0.2500  0.5848  1.0
  Nd  Nd1  2  0.1896  0.2500  0.2258  1.0
  Y  Y2  2  0.3350  0.7500  0.8374  1.0
  Se  Se3  2  0.0948  0.2500  0.8690  1.0
  Se  Se4  2  0.2199  0.7500  0.4993  1.0
  Se  Se5  2  0.4319  0.7500  0.1749  1.0
]