data_[Sm4Si1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0111]
_cell_length_b [4.4095]
_cell_length_c [10.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4SiGe3]
_chemical_formula_sum '[Sm4 Si1 Ge3]'
_cell_volume [192.6220]
_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  0.8623  1.0
  Sm  Sm1  1  0.0000  0.5000  0.3614  1.0
  Sm  Sm2  1  0.5000  0.0000  0.1368  1.0
  Sm  Sm3  1  0.5000  0.5000  0.6405  1.0
  Si  Si4  1  0.5000  0.5000  0.9213  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5822  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0781  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4173  1.0
]