data_[Li2Sm4Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3223]
_cell_length_b [4.4970]
_cell_length_c [7.3147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiSm2Ge]
_chemical_formula_sum '[Li2 Sm4 Ge2]'
_cell_volume [198.4127]
_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  0.3949  0.7500  0.2961  1
  Sm  Sm1  2  0.1428  0.2500  0.3997  1
  Sm  Sm2  2  0.2382  0.2500  0.9323  1
  Ge  Ge3  2  0.3700  0.7500  0.6937  1
]