data_[Cd1B1P1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1190]
_cell_length_b [3.4065]
_cell_length_c [5.3049]
_cell_angle_alpha [99.1874]
_cell_angle_beta [96.5553]
_cell_angle_gamma [98.5803]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdBPC]
_chemical_formula_sum '[Cd1 B1 P1 C1]'
_cell_volume [54.4654]
_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
[
  Cd  Cd0  1  0.1301  0.4840  0.6797  1
  B  B1  1  0.6523  0.0343  0.1099  1
  P  P2  1  0.4906  0.5473  0.2657  1
  C  C3  1  0.1415  0.1529  0.0193  1
]