data_[Li4Sm6Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8303]
_cell_length_b [4.0870]
_cell_length_c [10.5265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sm3Se4]
_chemical_formula_sum '[Li4 Sm6 Se8]'
_cell_volume [470.4372]
_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  4  0.1631  0.5000  0.3708  1
  Sm  Sm1  4  0.1984  0.0000  0.8240  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0654  0.5000  0.8602  1
  Se  Se4  4  0.2462  0.5000  0.6684  1
]