data_[Sr9Ce3P3C9O39]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.0438]
_cell_length_b [10.0438]
_cell_length_c [9.1791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3CePC3O13]
_chemical_formula_sum '[Sr9 Ce3 P3 C9 O39]'
_cell_volume [801.9075]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  9  0.1837  0.3675  0.2907  1
  Ce  Ce1  3  0.0000  0.0000  0.9991  1
  P  P2  3  0.0000  0.0000  0.4245  1
  C  C3  9  0.0007  0.5003  0.4316  1
  O  O4  18  0.0914  0.4056  0.7459  1
  O  O5  9  0.0835  0.1671  0.4836  1
  O  O6  9  0.0937  0.1874  0.7923  1
  O  O7  3  0.0000  0.0000  0.2581  1
]