data_[Sm4Zr8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1932]
_cell_length_b [10.9038]
_cell_length_c [5.8179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(ZrGe)2]
_chemical_formula_sum '[Sm4 Zr8 Ge8]'
_cell_volume [494.9772]
_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  0.0000  0.1150  0.2500  1
  Zr  Zr1  8  0.1683  0.3967  0.9857  1
  Ge  Ge2  4  0.0000  0.1742  0.7500  1
  Ge  Ge3  4  0.0000  0.3834  0.2500  1
]