data_[Ca16In4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4994]
_cell_length_b [5.5025]
_cell_length_c [7.1812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca8In2Rh]
_chemical_formula_sum '[Ca16 In4 Rh2]'
_cell_volume [688.6712]
_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  0.0193  0.0000  0.7895  1.0
  Ca  Ca1  4  0.0951  0.5000  0.4131  1.0
  Ca  Ca2  4  0.1479  0.5000  0.9458  1.0
  Ca  Ca3  4  0.2055  0.0000  0.2817  1.0
  In  In4  4  0.1797  0.0000  0.7039  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
]