data_[Ca2Tm10Pb12]
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 [9.2663]
_cell_length_b [14.3868]
_cell_length_c [5.7610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTm5Pb6]
_chemical_formula_sum '[Ca2 Tm10 Pb12]'
_cell_volume [692.8971]
_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  1.0
  Tm  Tm1  4  0.0000  0.1632  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3326  0.0000  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  8  0.2466  0.3301  0.7472  1.0
  Pb  Pb5  4  0.2463  0.5000  0.2511  1.0
]