data_[Ba4Cu12As4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.6085]
_cell_length_b [12.3234]
_cell_length_c [6.0670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCu3AsP]
_chemical_formula_sum '[Ba4 Cu12 As4 P4]'
_cell_volume [494.0961]
_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  0.2669  0.7500  1
  Cu  Cu1  8  0.1890  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.2858  0.2500  1
  As  As3  4  0.0000  0.4694  0.2500  1
  P  P4  4  0.0000  0.1094  0.2500  1
]