data_[Li4Sm4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1056]
_cell_length_b [3.5408]
_cell_length_c [5.4517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm]
_chemical_formula_sum '[Li4 Sm4]'
_cell_volume [211.6821]
_cell_formula_units_Z [4]
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  0.1565  0.5000  0.8985  1
  Sm  Sm1  4  0.1092  0.0000  0.3534  1
]