data_[Cs12Tm4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9170]
_cell_length_b [12.9384]
_cell_length_c [7.7290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3TmO3]
_chemical_formula_sum '[Cs12 Tm4 O12]'
_cell_volume [776.3992]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.2156  0.5000  1.0
  Cs  Cs1  4  0.0000  0.2628  0.0000  1.0
  Cs  Cs2  4  0.1434  0.5000  0.3512  1.0
  Tm  Tm3  4  0.1679  0.0000  0.1524  1.0
  O  O4  8  0.2072  0.3666  0.7330  1.0
  O  O5  4  0.1074  0.0000  0.8674  1.0
]