data_[Li4Sm6Ga8]
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 [C2/m]
_cell_length_a [10.7012]
_cell_length_b [4.6256]
_cell_length_c [8.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sm3Ga4]
_chemical_formula_sum '[Li4 Sm6 Ga8]'
_cell_volume [391.4070]
_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  0.1030  0.5000  0.2726  1.0
  Sm  Sm1  4  0.1701  0.5000  0.6601  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0389  0.0000  0.3742  1.0
  Ga  Ga4  4  0.2379  0.5000  0.0758  1.0
]