data_[Ba4Ca4Cd4As4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4171]
_cell_length_b [17.5090]
_cell_length_c [7.2304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BaCaCdAsP]
_chemical_formula_sum '[Ba4 Ca4 Cd4 As4 P4]'
_cell_volume [559.1995]
_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  0.0000  0.2031  0.9086  1
  Ca  Ca1  4  0.0000  0.0289  0.2415  1
  Cd  Cd2  4  0.0000  0.4052  0.0686  1
  As  As3  4  0.0000  0.4418  0.4509  1
  P  P4  4  0.0000  0.1654  0.4645  1
]