data_[Sm4Ge4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5924]
_cell_length_b [3.6438]
_cell_length_c [5.1637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmGeB]
_chemical_formula_sum '[Sm4 Ge4 B4]'
_cell_volume [212.1448]
_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  0.1238  0.0000  0.8016  1
  Ge  Ge1  4  0.1209  0.5000  0.3023  1
  B  B2  4  0.2297  0.0000  0.3298  1
]