data_TaGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   135.95
_cell_angle_beta   135.95
_cell_angle_gamma   64.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2As
_chemical_formula_sum   'Ta1 Ga2 As1'
_cell_volume   68.28
_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
  Ta  Ta3  1  0.96  0.0  0.22  1.0
  Ga  Ga1  1  0.0  0.96  0.22  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.44  1.0

data_TaGa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.23
_cell_angle_alpha   112.02
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2As
_chemical_formula_sum   'Ta1 Ga2 As1'
_cell_volume   68.28
_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
  Ta  Ta0  1  0.78  0.0  0.74  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.74  0.96  0.74  1.0
  As  As3  1  0.56  0.0  0.56  1.0

Ta Ga Ga As