data_[Ca4Tl6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4772]
_cell_length_b [4.3123]
_cell_length_c [7.7159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Tl3Rh2]
_chemical_formula_sum '[Ca4 Tl6 Rh4]'
_cell_volume [324.6989]
_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  0.1501  0.0000  0.7890  1
  Tl  Tl1  4  0.1328  0.5000  0.4523  1
  Tl  Tl2  2  0.0000  0.5000  0.0000  1
  Rh  Rh3  4  0.1347  0.0000  0.1987  1
]