data_[Sm6Be4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0072]
_cell_length_b [4.0615]
_cell_length_c [8.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(BeGe2)2]
_chemical_formula_sum '[Sm6 Be4 Ge8]'
_cell_volume [354.4581]
_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  0.1193  0.5000  0.6867  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1871  0.5000  0.3429  1
  Ge  Ge3  4  0.1081  0.0000  0.3957  1
  Ge  Ge4  4  0.2149  0.5000  0.0707  1
]