data_[Ce4Si2P2]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.0671]
_cell_length_b [8.1585]
_cell_length_c [5.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ce2SiP]
_chemical_formula_sum '[Ce4 Si2 P2]'
_cell_volume [196.4199]
_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  2  0.0000  0.0717  0.1213  1
  Ce  Ce1  2  0.0000  0.5630  0.3783  1
  Si  Si2  2  0.0000  0.2131  0.6302  1
  P  P3  2  0.0000  0.7115  0.8702  1
]