data_[Tm3Be1P2Ir9]
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
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.2496]
_cell_length_b [6.2496]
_cell_length_c [7.4588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tm3BeP2Ir9]
_chemical_formula_sum '[Tm3 Be1 P2 Ir9]'
_cell_volume [252.2940]
_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
[
  Tm  Tm0  2  0.3333  0.6667  0.6589  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Be  Be2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.1837  1
  Ir  Ir4  6  0.1577  0.3154  0.3311  1
  Ir  Ir5  3  0.0000  0.5000  0.0000  1
]