data_[La3Sm3Ge3S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2243]
_cell_length_b [4.2243]
_cell_length_c [20.7344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaSmGeS]
_chemical_formula_sum '[La3 Sm3 Ge3 S3]'
_cell_volume [320.4252]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.6944  1.0
  Sm  Sm1  3  0.0000  0.0000  0.1936  1.0
  Ge  Ge2  3  0.0000  0.0000  0.9416  1.0
  S  S3  3  0.0000  0.0000  0.4468  1.0
]