data_[Li2Sm2Er2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3452]
_cell_length_b [3.9972]
_cell_length_c [8.7887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSmErSe3]
_chemical_formula_sum '[Li2 Sm2 Er2 Se6]'
_cell_volume [285.5263]
_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  0.0861  0.2500  0.5841  1.0
  Sm  Sm1  2  0.1896  0.2500  0.2260  1.0
  Er  Er2  2  0.3329  0.7500  0.8354  1.0
  Se  Se3  2  0.0939  0.2500  0.8710  1.0
  Se  Se4  2  0.2239  0.7500  0.4989  1.0
  Se  Se5  2  0.4312  0.7500  0.1721  1.0
]