data_[Ba4Cu2As2P2]
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 [Pmmn]
_cell_length_a [4.1290]
_cell_length_b [8.8820]
_cell_length_c [8.0222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2CuAsP]
_chemical_formula_sum '[Ba4 Cu2 As2 P2]'
_cell_volume [294.2049]
_cell_formula_units_Z [2]
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  0.2742  0.2470  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5995  1.0
  As  As2  2  0.0000  0.5000  0.8976  1.0
  P  P3  2  0.0000  0.0000  0.5379  1.0
]