data_[Sm2Be2Ge2]
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 [Pmmm]
_cell_length_a [3.9650]
_cell_length_b [4.1926]
_cell_length_c [6.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SmBeGe]
_chemical_formula_sum '[Sm2 Be2 Ge2]'
_cell_volume [115.4412]
_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  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  1  0.5000  0.0000  0.5000  1
  Be  Be2  2  0.0000  0.5000  0.3430  1
  Ge  Ge3  2  0.5000  0.5000  0.1821  1
]