data_[Ba2Cu4As4]
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
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4513]
_cell_length_b [4.4513]
_cell_length_c [10.2108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ba(CuAs)2]
_chemical_formula_sum '[Ba2 Cu4 As4]'
_cell_volume [202.3203]
_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  2  0.0000  0.5000  0.7543  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.3812  1.0
  As  As3  2  0.0000  0.0000  0.5000  1.0
  As  As4  2  0.0000  0.5000  0.1263  1.0
]