data_[Sm4Ga4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.0121]
_cell_length_b [5.9940]
_cell_length_c [7.8641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [SmGaGe]
_chemical_formula_sum '[Sm4 Ga4 Ge4]'
_cell_volume [262.5969]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.1273  0.1158  0.0010  1.0
  Ga  Ga1  4  0.0140  0.4094  0.3347  1.0
  Ge  Ge2  4  0.2358  0.3948  0.6676  1.0
]