data_[Ca3Pm6Tl12Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3129]
_cell_length_b [5.3129]
_cell_length_c [27.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaPm2Tl4Ag]
_chemical_formula_sum '[Ca3 Pm6 Tl12 Ag3]'
_cell_volume [660.9764]
_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  0.0000  1
  Pm  Pm1  6  0.0000  0.0000  0.2430  1
  Tl  Tl2  6  0.0000  0.0000  0.1255  1
  Tl  Tl3  6  0.0000  0.0000  0.3768  1
  Ag  Ag4  3  -0.0000  -0.0000  0.5000  1
]