data_[Cs2Fe2As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9381]
_cell_length_b [3.9381]
_cell_length_c [9.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Cs2Fe2AsP]
_chemical_formula_sum '[Cs2 Fe2 As1 P1]'
_cell_volume [147.9524]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.3263  1
  Cs  Cs1  1  0.5000  0.5000  0.6669  1
  Fe  Fe2  2  0.0000  0.5000  0.0077  1
  As  As3  1  0.0000  0.0000  0.8762  1
  P  P4  1  0.5000  0.5000  0.1151  1
]