data_[Sm6Ga8Ge4]
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 [C2/m]
_cell_length_a [11.2172]
_cell_length_b [4.2215]
_cell_length_c [8.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(Ga2Ge)2]
_chemical_formula_sum '[Sm6 Ga8 Ge4]'
_cell_volume [394.2120]
_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
[
  Sm  Sm0  4  0.1677  0.5000  0.6671  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0301  0.0000  0.3662  1
  Ga  Ga3  4  0.2050  0.5000  0.0352  1
  Ge  Ge4  4  0.1295  0.5000  0.2959  1
]