data_[Ca2Pm16Tl4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0226]
_cell_length_b [11.1748]
_cell_length_c [5.0447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(Pm4Tl)2]
_chemical_formula_sum '[Ca2 Pm16 Tl4]'
_cell_volume [831.0527]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pm  Pm1  8  0.0997  0.2642  0.7871  1
  Pm  Pm2  4  0.0758  0.5000  0.2887  1
  Pm  Pm3  4  0.2455  0.0000  0.1316  1
  Tl  Tl4  4  0.1235  0.0000  0.5537  1
]