data_[Sr2Li2Nd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8409]
_cell_length_b [4.2372]
_cell_length_c [9.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiNdSe3]
_chemical_formula_sum '[Sr2 Li2 Nd2 Se6]'
_cell_volume [333.8372]
_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
[
  Sr  Sr0  2  0.1791  0.2500  0.2304  1.0
  Li  Li1  2  0.0845  0.2500  0.5856  1.0
  Nd  Nd2  2  0.3338  0.7500  0.8292  1.0
  Se  Se3  2  0.1084  0.2500  0.8674  1.0
  Se  Se4  2  0.2074  0.7500  0.5043  1.0
  Se  Se5  2  0.4296  0.7500  0.1678  1.0
]