data_[Ca2Tm2Tl8]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9698]
_cell_length_b [3.7833]
_cell_length_c [7.9287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTmTl4]
_chemical_formula_sum '[Ca2 Tm2 Tl8]'
_cell_volume [344.5293]
_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
  Tm  Tm1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.1647  0.5000  0.3424  1
  Tl  Tl3  4  0.1755  0.5000  0.8230  1
]