data_[Ce4Fe16P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9625]
_cell_length_b [16.6967]
_cell_length_c [5.0742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce2Fe8P]
_chemical_formula_sum '[Ce4 Fe16 P2]'
_cell_volume [335.7071]
_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
[
  Ce  Ce0  4  0.5000  0.1144  0.5155  1
  Fe  Fe1  4  0.0000  0.1197  0.0141  1
  Fe  Fe2  4  0.0000  0.2493  0.7608  1
  Fe  Fe3  4  0.5000  0.2071  0.0162  1
  Fe  Fe4  2  0.0000  0.0000  0.2816  1
  Fe  Fe5  2  0.5000  0.0000  0.0199  1
  P  P6  2  0.0000  0.0000  0.7716  1
]