data_[Ce4As2P1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2402]
_cell_length_b [4.1988]
_cell_length_c [7.3045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4As2PBr]
_chemical_formula_sum '[Ce4 As2 P1 Br1]'
_cell_volume [209.3795]
_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  0.2437  0.5000  0.2354  1.0
  Ce  Ce1  2  0.2522  0.0000  0.7620  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.0000  0.5000  0.5000  1.0
  P  P4  1  0.5000  0.5000  0.0000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]