data_[Ba8Gd4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6409]
_cell_length_b [9.9079]
_cell_length_c [7.9957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2GdAs2]
_chemical_formula_sum '[Ba8 Gd4 As8]'
_cell_volume [745.0531]
_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  0.0231  0.6370  0.7625  1
  Ba  Ba1  4  0.3895  0.1517  0.5285  1
  Gd  Gd2  4  0.3237  0.5851  0.4886  1
  As  As3  4  0.1890  0.1220  0.1335  1
  As  As4  4  0.2804  0.6584  0.1372  1
]