data_[Ca2Cd2P2H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.2711]
_cell_length_b [4.2711]
_cell_length_c [9.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [CaCdPH]
_chemical_formula_sum '[Ca2 Cd2 P2 H2]'
_cell_volume [154.9467]
_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  0.3333  0.6667  0.0798  1.0
  Cd  Cd1  2  0.0000  0.0000  0.3334  1.0
  P  P2  2  0.3333  0.6667  0.7499  1.0
  H  H3  2  0.0000  0.0000  0.0246  1.0
]