data_[Sm4Ni3Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1413]
_cell_length_b [4.1785]
_cell_length_c [16.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Ni3Ge8]
_chemical_formula_sum '[Sm4 Ni3 Ge8]'
_cell_volume [288.1870]
_cell_formula_units_Z [1]
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  0.1033  1.0
  Sm  Sm1  1  0.0000  0.5000  0.6051  1.0
  Sm  Sm2  1  0.5000  0.0000  0.8938  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3920  1.0
  Ni  Ni4  1  0.0000  0.5000  0.8187  1.0
  Ni  Ni5  1  0.5000  0.0000  0.6816  1.0
  Ni  Ni6  1  0.5000  0.5000  0.1852  1.0
  Ge  Ge7  1  0.0000  0.0000  0.4490  1.0
  Ge  Ge8  1  0.0000  0.0000  0.7488  1.0
  Ge  Ge9  1  0.0000  0.5000  0.2557  1.0
  Ge  Ge10  1  0.0000  0.5000  0.9574  1.0
  Ge  Ge11  1  0.5000  0.0000  0.2543  1.0
  Ge  Ge12  1  0.5000  0.0000  0.5422  1.0
  Ge  Ge13  1  0.5000  0.5000  0.0452  1.0
  Ge  Ge14  1  0.5000  0.5000  0.7505  1.0
]