data_[Ca10Tm2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0403]
_cell_length_b [7.3101]
_cell_length_c [5.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5TmPb6]
_chemical_formula_sum '[Ca10 Tm2 Pb12]'
_cell_volume [714.1928]
_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  4  0.1667  0.5000  0.6746  1
  Ca  Ca1  4  0.1735  0.0000  0.6836  1
  Ca  Ca2  2  0.0000  0.5000  0.0000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.1608  0.2420  0.1764  1
  Pb  Pb5  4  0.0000  0.2375  0.5000  1
]