data_[Ce4Sb1P1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3365]
_cell_length_b [4.2481]
_cell_length_c [7.4368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4SbPSe2]
_chemical_formula_sum '[Ce4 Sb1 P1 Se2]'
_cell_volume [218.6579]
_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  0.2448  0.0000  0.7324  1
  Ce  Ce1  2  0.2565  0.5000  0.2673  1
  Sb  Sb2  1  0.5000  0.5000  0.0000  1
  P  P3  1  0.5000  0.0000  0.5000  1
  Se  Se4  1  0.0000  0.0000  0.0000  1
  Se  Se5  1  0.0000  0.5000  0.5000  1
]