data_[Tm2Mn1Si3Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0524]
_cell_length_b [4.0524]
_cell_length_c [10.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tm2MnSi3Ir4]
_chemical_formula_sum '[Tm2 Mn1 Si3 Ir4]'
_cell_volume [166.8585]
_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  0.0000  0.5000  0.7531  1.0
  Mn  Mn1  1  0.5000  0.5000  0.5000  1.0
  Si  Si2  2  0.0000  0.5000  0.1291  1.0
  Si  Si3  1  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.3610  1.0
  Ir  Ir5  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir6  1  0.5000  0.5000  0.0000  1.0
]