data_[Tm3Be12Si3Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9177]
_cell_length_b [3.9177]
_cell_length_c [23.4146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmBe4SiIr2]
_chemical_formula_sum '[Tm3 Be12 Si3 Ir6]'
_cell_volume [311.2251]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Be  Be1  6  0.0000  0.0000  0.1234  1
  Be  Be2  6  0.0000  0.0000  0.4064  1
  Si  Si3  3  -0.0000  -0.0000  0.5000  1
  Ir  Ir4  6  0.0000  0.0000  0.2301  1
]