data_Ga2FeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeAs
_chemical_formula_sum   'Ga2 Fe1 As1'
_cell_volume   64.27
_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  Ga2  1  0.98  0.0  0.06  1.0
  Ga  Ga3  1  0.0  0.0  0.11  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.98  0.06  1.0

data_Ga2FeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.97
_cell_angle_alpha   113.42
_cell_angle_beta   113.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeAs
_chemical_formula_sum   'Ga2 Fe1 As1'
_cell_volume   64.27
_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  0.06  0.08  0.08  1.0
  Ga  Ga1  1  0.11  0.11  0.11  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.08  0.06  0.08  1.0

Ga Ga Fe As