data_[Tm6Sc4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6128]
_cell_length_b [3.7170]
_cell_length_c [8.4467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3(ScIr)2]
_chemical_formula_sum '[Tm6 Sc4 Ir4]'
_cell_volume [330.8508]
_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
[
  Tm  Tm0  4  0.1170  0.5000  0.4327  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  4  0.1690  0.0000  0.8180  1.0
  Ir  Ir3  4  0.1849  0.0000  0.2277  1.0
]