data_[Ca2Cd2Fe2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8727]
_cell_length_b [3.8727]
_cell_length_c [10.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CaCdFeP]
_chemical_formula_sum '[Ca2 Cd2 Fe2 P2]'
_cell_volume [163.1505]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.2209  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.0000  0.5000  0.8971  1.0
]