data_[Sm4Ge3Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1080]
_cell_length_b [4.2951]
_cell_length_c [10.9389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4Ge3Ir]
_chemical_formula_sum '[Sm4 Ge3 Ir1]'
_cell_volume [193.0047]
_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  0.8649  1.0
  Sm  Sm1  1  0.0000  0.5000  0.3580  1.0
  Sm  Sm2  1  0.5000  0.0000  0.1329  1.0
  Sm  Sm3  1  0.5000  0.5000  0.6488  1.0
  Ge  Ge4  1  0.0000  0.0000  0.5770  1.0
  Ge  Ge5  1  0.0000  0.5000  0.0774  1.0
  Ge  Ge6  1  0.5000  0.0000  0.4171  1.0
  Ir  Ir7  1  0.5000  0.5000  0.9240  1.0
]