data_[Ca8Cd4P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2089]
_cell_length_b [16.0775]
_cell_length_c [7.1180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2CdP2]
_chemical_formula_sum '[Ca8 Cd4 P8]'
_cell_volume [481.6658]
_cell_formula_units_Z [4]
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  4  0.0000  0.2990  0.4219  1.0
  Ca  Ca1  4  0.0000  0.4635  0.7707  1.0
  Cd  Cd2  4  0.0000  0.0987  0.6098  1.0
  P  P3  4  0.0000  0.0628  0.9793  1.0
  P  P4  4  0.0000  0.3190  0.0069  1.0
]