data_[Ca2Sn4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4904]
_cell_length_b [4.4904]
_cell_length_c [10.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ca(SnRh)2]
_chemical_formula_sum '[Ca2 Sn4 Rh4]'
_cell_volume [219.1420]
_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  0.0000  0.5000  0.2417  1.0
  Sn  Sn1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.8729  1.0
  Rh  Rh3  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh4  2  0.0000  0.5000  0.6326  1.0
]