data_[Ca4Rh8]
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 [Cm]
_cell_length_a [10.3922]
_cell_length_b [2.9296]
_cell_length_c [7.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaRh2]
_chemical_formula_sum '[Ca4 Rh8]'
_cell_volume [206.8876]
_cell_formula_units_Z [4]
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  0.0067  0.0000  0.0216  1
  Ca  Ca1  2  0.3208  0.0000  0.6385  1
  Rh  Rh2  2  0.1088  0.5000  0.7199  1
  Rh  Rh3  2  0.1702  0.5000  0.3344  1
  Rh  Rh4  2  0.2717  0.0000  0.0648  1
  Rh  Rh5  2  0.4551  0.5000  0.3875  1
]