data_[Zr2Cd2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.8640]
_cell_length_b [4.7877]
_cell_length_c [8.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrCdP2]
_chemical_formula_sum '[Zr2 Cd2 P4]'
_cell_volume [157.5305]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.4733  1
  Cd  Cd1  2  0.0000  0.5000  0.7609  1
  P  P2  2  0.0000  0.0000  0.9894  1
  P  P3  2  0.0000  0.5000  0.2763  1
]