data_[Ca12Cd4P4]
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 [C2/m]
_cell_length_a [15.7960]
_cell_length_b [4.2220]
_cell_length_c [9.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3CdP]
_chemical_formula_sum '[Ca12 Cd4 P4]'
_cell_volume [635.9055]
_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  0.0432  0.5000  0.3041  1.0
  Ca  Ca1  4  0.1486  0.0000  0.9532  1.0
  Ca  Ca2  4  0.2478  0.0000  0.3258  1.0
  Cd  Cd3  4  0.0920  0.0000  0.5759  1.0
  P  P4  4  0.1836  0.5000  0.1458  1.0
]