data_[La2P7Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.6836]
_cell_length_b [9.6836]
_cell_length_c [3.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [La2P7Rh12]
_chemical_formula_sum '[La2 P7 Rh12]'
_cell_volume [317.8249]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.3333  0.6667  0.7472  1
  P  P1  6  0.1127  0.4006  0.2452  1
  P  P2  1  0.0000  0.0000  0.5000  1
  Rh  Rh3  6  0.0636  0.6195  0.2490  1
  Rh  Rh4  6  0.1109  0.8517  0.7492  1
]