data_[Tm4Si2P2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3781]
_cell_length_b [8.5346]
_cell_length_c [7.9206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tm2SiPIr6]
_chemical_formula_sum '[Tm4 Si2 P2 Ir12]'
_cell_volume [363.5539]
_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  0.0000  0.2250  0.7095  1
  Si  Si1  2  0.0000  0.5000  0.2796  1
  P  P2  2  0.0000  0.0000  0.2364  1
  Ir  Ir3  4  0.0000  0.2426  0.1004  1
  Ir  Ir4  4  0.2433  0.5000  0.5310  1
  Ir  Ir5  4  0.2461  0.0000  0.9637  1
]