data_[Al3Ag3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9014]
_cell_length_b [10.5159]
_cell_length_c [18.5219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Al3Ag3As4]
_chemical_formula_sum '[Al3 Ag3 As4]'
_cell_volume [759.8925]
_cell_formula_units_Z [1]
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
[
  Al  Al0  2  0.5000  0.2107  0.4793  1
  Al  Al1  1  0.0000  0.0000  0.4875  1
  Ag  Ag2  2  0.0000  0.1935  0.5785  1
  Ag  Ag3  1  0.5000  0.0000  0.5926  1
  As  As4  2  0.0000  0.3382  0.4354  1
  As  As5  1  0.0000  0.5000  0.5308  1
  As  As6  1  0.5000  0.0000  0.4025  1
]