data_[Ca6Tl2Rh2]
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 [P-1]
_cell_length_a [5.7358]
_cell_length_b [6.3404]
_cell_length_c [8.8704]
_cell_angle_alpha [99.9496]
_cell_angle_beta [100.6819]
_cell_angle_gamma [113.2460]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca3TlRh]
_chemical_formula_sum '[Ca6 Tl2 Rh2]'
_cell_volume [280.2555]
_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  0.1903  0.0456  0.2559  1.0
  Ca  Ca1  2  0.1994  0.6994  0.8998  1.0
  Ca  Ca2  2  0.4452  0.3315  0.7088  1.0
  Tl  Tl3  2  0.1717  0.7598  0.5317  1.0
  Rh  Rh4  2  0.2714  0.2779  0.0010  1.0
]