data_[Ga2Ag1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7506]
_cell_length_b [20.4014]
_cell_length_c [5.5332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ga2AgAs3]
_chemical_formula_sum '[Ga2 Ag1 As3]'
_cell_volume [310.5038]
_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
[
  Ga  Ga0  2  0.5000  0.3676  0.6527  1
  Ag  Ag1  1  0.5000  0.5000  0.8567  1
  As  As2  2  0.5000  0.3876  0.1529  1
  As  As3  1  0.5000  0.5000  0.3761  1
]