data_[Tm8Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1986]
_cell_length_b [7.2248]
_cell_length_c [7.3381]
_cell_angle_alpha [108.3691]
_cell_angle_beta [108.6455]
_cell_angle_gamma [107.7512]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm4CuIr2]
_chemical_formula_sum '[Tm8 Cu2 Ir4]'
_cell_volume [306.2878]
_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  1  0.0623  0.2069  0.4542  1
  Tm  Tm1  1  0.2142  0.8614  0.7203  1
  Tm  Tm2  1  0.3524  0.3564  0.1187  1
  Tm  Tm3  1  0.4115  0.9088  0.2975  1
  Tm  Tm4  1  0.5685  0.6992  0.9451  1
  Tm  Tm5  1  0.7278  0.4691  0.5758  1
  Tm  Tm6  1  0.7960  0.0477  0.7755  1
  Tm  Tm7  1  0.9328  0.5229  0.1795  1
  Cu  Cu8  1  0.0191  0.8686  0.0092  1
  Cu  Cu9  1  0.5105  0.2501  0.7677  1
  Ir  Ir10  1  0.1106  0.5100  0.8773  1
  Ir  Ir11  1  0.3846  0.6285  0.5046  1
  Ir  Ir12  1  0.6314  0.1421  0.1273  1
  Ir  Ir13  1  0.7784  0.7781  0.3971  1
]