data_[Gd4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.1749]
_cell_length_b [8.0257]
_cell_length_c [17.1749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GdAs]
_chemical_formula_sum '[Gd4 As4]'
_cell_volume [2050.2266]
_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
[
  Gd  Gd0  2  0.4879  0.2773  0.5860  1
  Gd  Gd1  1  0.5633  0.0000  0.4679  1
  Gd  Gd2  1  0.5858  0.5000  0.4909  1
  As  As3  2  0.4482  0.2675  0.3962  1
  As  As4  1  0.3780  0.5000  0.4347  1
  As  As5  1  0.6009  0.0000  0.6421  1
]