data_[Sm2Mn2Ge4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0876]
_cell_length_b [4.0876]
_cell_length_c [10.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [SmMnGe2Ir]
_chemical_formula_sum '[Sm2 Mn2 Ge4 Ir2]'
_cell_volume [179.7424]
_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  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.5000  0.7500  1
  Ge  Ge2  4  0.0000  0.0000  0.3821  1
  Ir  Ir3  2  0.0000  0.5000  0.2500  1
]