data_[Ca4P4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3653]
_cell_length_b [8.1123]
_cell_length_c [6.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaPRh]
_chemical_formula_sum '[Ca4 P4 Rh4]'
_cell_volume [235.8241]
_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  0.0000  0.1276  0.8711  1.0
  Ca  Ca1  2  0.0000  0.4017  0.4184  1.0
  P  P2  2  0.5000  0.0837  0.1795  1.0
  P  P3  2  0.5000  0.3750  0.7472  1.0
  Rh  Rh4  2  0.5000  0.1554  0.5061  1.0
  Rh  Rh5  2  0.5000  0.3528  0.1036  1.0
]