data_[Sr4Tm2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7969]
_cell_length_b [5.8250]
_cell_length_c [10.0324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2TmIrO6]
_chemical_formula_sum '[Sr4 Tm2 Ir2 O12]'
_cell_volume [277.4270]
_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
[
  Sr  Sr0  4  0.2430  0.0309  0.2493  1.0
  Tm  Tm1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1673  0.2285  0.9644  1.0
  O  O4  4  0.2362  0.7052  0.9657  1.0
  O  O5  4  0.3037  0.0141  0.7375  1.0
]