data_[Zr4Cd2P1C1]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.4667]
_cell_length_b [3.4667]
_cell_length_c [15.4278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zr4Cd2PC]
_chemical_formula_sum '[Zr4 Cd2 P1 C1]'
_cell_volume [160.5752]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0786  1
  Zr  Zr1  2  0.3333  0.6667  0.4007  1
  Cd  Cd2  2  0.3333  0.6667  0.7587  1
  P  P3  1  0.0000  0.0000  0.5000  1
  C  C4  1  0.0000  0.0000  0.0000  1
]