data_[Li6Sm4Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3145]
_cell_length_b [20.7033]
_cell_length_c [3.7970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3(SmGa)2]
_chemical_formula_sum '[Li6 Sm4 Ga4]'
_cell_volume [339.1680]
_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  0.0000  0.4302  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  4  0.0000  0.1656  0.0000  1.0
  Ga  Ga3  4  0.0000  0.2877  0.5000  1.0
]