data_[Sm2Zn1Ni3Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1438]
_cell_length_b [4.1438]
_cell_length_c [9.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sm2ZnNi3Ge4]
_chemical_formula_sum '[Sm2 Zn1 Ni3 Ge4]'
_cell_volume [170.8733]
_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  2  0.0000  0.5000  0.7555  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni2  2  0.0000  0.5000  0.1195  1.0
  Ni  Ni3  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge4  2  0.0000  0.5000  0.3571  1.0
  Ge  Ge5  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge6  1  0.5000  0.5000  0.0000  1.0
]