data_[Ce4Si1P1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0242]
_cell_length_b [4.1368]
_cell_length_c [7.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4SiPCl2]
_chemical_formula_sum '[Ce4 Si1 P1 Cl2]'
_cell_volume [195.6010]
_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
[
  Ce  Ce0  2  0.2593  0.0000  0.7491  1.0
  Ce  Ce1  2  0.2625  0.5000  0.2578  1.0
  Si  Si2  1  0.5000  0.5000  0.0000  1.0
  P  P3  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl4  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  1  0.0000  0.5000  0.5000  1.0
]