data_[Sr3Ca3Tl12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9387]
_cell_length_b [6.9387]
_cell_length_c [16.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrCaTl4O8]
_chemical_formula_sum '[Sr3 Ca3 Tl12 O24]'
_cell_volume [702.3810]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.6203  1.0
  Ca  Ca1  3  0.0000  0.0000  0.9983  1.0
  Tl  Tl2  9  0.0073  0.5037  0.5010  1.0
  Tl  Tl3  3  0.0000  0.0000  0.3810  1.0
  O  O4  9  0.0213  0.5107  0.7551  1.0
  O  O5  9  0.1855  0.3709  0.5755  1.0
  O  O6  3  0.0000  0.0000  0.2439  1.0
  O  O7  3  0.0000  0.0000  0.7619  1.0
]