data_[Ca4As8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0358]
_cell_length_b [4.0358]
_cell_length_c [20.1212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CaAs2Rh]
_chemical_formula_sum '[Ca4 As8 Rh4]'
_cell_volume [327.7265]
_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  4  0.0000  0.0000  0.1134  1.0
  As  As1  4  0.0000  0.0000  0.3217  1.0
  As  As2  4  0.0000  0.5000  0.0000  1.0
  Rh  Rh3  4  0.0000  0.5000  0.2500  1.0
]