data_[Y2Tm6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5096]
_cell_length_b [6.4873]
_cell_length_c [6.1060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [YTm3Ir]
_chemical_formula_sum '[Y2 Tm6 Ir2]'
_cell_volume [297.4699]
_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
[
  Y  Y0  2  0.0000  0.1511  0.4294  1
  Tm  Tm1  4  0.2497  0.3135  0.9264  1
  Tm  Tm2  2  0.0000  0.8478  0.9220  1
  Ir  Ir3  2  0.0000  0.5040  0.1740  1
]