data_[Ga2Fe1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7851]
_cell_length_b [4.3255]
_cell_length_c [20.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [111.0016]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ga2FeAs3]
_chemical_formula_sum '[Ga2 Fe1 As3]'
_cell_volume [309.8334]
_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  1  0.2340  0.9529  0.3599  1
  Ga  Ga1  1  0.4595  0.1852  0.6199  1
  Fe  Fe2  1  0.1017  0.6342  0.4914  1
  As  As3  1  0.1178  0.5737  0.6108  1
  As  As4  1  0.5666  0.5606  0.4135  1
  As  As5  1  0.7824  0.0340  0.5044  1
]