data_[Ca3Ho6Tl3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8140]
_cell_length_b [5.8140]
_cell_length_c [15.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaHo2TlO6]
_chemical_formula_sum '[Ca3 Ho6 Tl3 O18]'
_cell_volume [450.2016]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.8041  1
  Ho  Ho1  3  0.0000  0.0000  0.0202  1
  Ho  Ho2  3  0.0000  0.0000  0.5213  1
  Tl  Tl3  3  0.0000  0.0000  0.3086  1
  O  O4  9  0.0379  0.3673  0.5843  1
  O  O5  9  0.0552  0.6885  0.0848  1
]