data_[Ca13Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8244]
_cell_length_b [8.6985]
_cell_length_c [10.5181]
_cell_angle_alpha [114.3577]
_cell_angle_beta [90.4179]
_cell_angle_gamma [96.9299]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca13Rh2]
_chemical_formula_sum '[Ca13 Rh2]'
_cell_volume [563.5161]
_cell_formula_units_Z [1]
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  0.0775  0.4597  0.3083  1.0
  Ca  Ca1  2  0.1512  0.9228  0.6158  1.0
  Ca  Ca2  2  0.2292  0.3826  0.9249  1.0
  Ca  Ca3  2  0.3063  0.8487  0.2302  1.0
  Ca  Ca4  2  0.3813  0.3086  0.5368  1.0
  Ca  Ca5  2  0.4607  0.7707  0.8452  1.0
  Ca  Ca6  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh7  2  0.1940  0.1558  0.2712  1.0
]