data_[Ba3Tm3In12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8155]
_cell_length_b [6.8155]
_cell_length_c [16.7775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaTmIn4O8]
_chemical_formula_sum '[Ba3 Tm3 In12 O24]'
_cell_volume [674.9297]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.3757  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0018  1.0
  In  In2  9  0.1686  0.3372  0.8328  1.0
  In  In3  3  0.0000  0.0000  0.6246  1.0
  O  O4  9  0.0581  0.5290  0.7571  1.0
  O  O5  9  0.1801  0.3602  0.5787  1.0
  O  O6  3  0.0000  0.0000  0.2279  1.0
  O  O7  3  0.0000  0.0000  0.7642  1.0
]