data_[Tm3Mn3In12O24]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.5706]
_cell_length_b [6.5706]
_cell_length_c [16.2529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TmMnIn4O8]
_chemical_formula_sum '[Tm3 Mn3 In12 O24]'
_cell_volume [607.6686]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.9984  1.0
  Mn  Mn1  3  0.0000  0.0000  0.6240  1.0
  In  In2  9  0.0026  0.5013  0.5003  1.0
  In  In3  3  0.0000  0.0000  0.3746  1.0
  O  O4  9  0.0258  0.5129  0.7541  1.0
  O  O5  9  0.1779  0.3559  0.5805  1.0
  O  O6  3  0.0000  0.0000  0.2381  1.0
  O  O7  3  0.0000  0.0000  0.7601  1.0
]