data_[Ba4Cd4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [11.0358]
_cell_length_b [4.5515]
_cell_length_c [7.2582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCdP]
_chemical_formula_sum '[Ba4 Cd4 P4]'
_cell_volume [358.5519]
_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
[
  Ba  Ba0  4  0.1203  0.0000  0.2990  1
  Cd  Cd1  4  0.1193  0.5000  0.9329  1
  P  P2  4  0.1802  0.0000  0.7598  1
]