data_YGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   134.12
_cell_angle_beta   134.12
_cell_angle_gamma   66.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2As
_chemical_formula_sum   'Y1 Ga2 As1'
_cell_volume   80.42
_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
  Y  Y3  1  0.11  0.0  0.26  1.0
  Ga  Ga1  1  0.0  0.11  0.26  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.52  1.0

data_YGa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   5.41
_cell_angle_alpha   112.94
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2As
_chemical_formula_sum   'Y1 Ga2 As1'
_cell_volume   80.42
_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
  Y  Y0  1  0.74  0.0  0.85  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.85  0.11  0.85  1.0
  As  As3  1  0.48  0.0  0.48  1.0

Y Ga Ga As