data_[Ba4Zn4Cu4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0208]
_cell_length_b [4.0619]
_cell_length_c [9.2006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZnCuP2]
_chemical_formula_sum '[Ba4 Zn4 Cu4 P8]'
_cell_volume [447.5582]
_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  0.1553  0.5000  0.6755  1.0
  Zn  Zn1  4  0.0602  0.0000  0.1934  1.0
  Cu  Cu2  4  0.1786  0.5000  0.0661  1.0
  P  P3  4  0.1232  0.0000  0.9418  1.0
  P  P4  4  0.1282  0.5000  0.3164  1.0
]