data_[Li1Sm1Ge2Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4236]
_cell_length_b [4.3280]
_cell_length_c [7.5989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSm(GeTe2)2]
_chemical_formula_sum '[Li1 Sm1 Ge2 Te4]'
_cell_volume [230.8836]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  1  0.5000  0.5000  0.0000  1
  Ge  Ge2  1  0.0000  0.5000  0.5000  1
  Ge  Ge3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2428  0.0000  0.7386  1
  Te  Te5  2  0.2500  0.5000  0.2574  1
]