data_Ga2NiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.77
_cell_angle_alpha   110.42
_cell_angle_beta   110.42
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiAs
_chemical_formula_sum   'Ga2 Ni1 As1'
_cell_volume   67.75
_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  Ga1  1  0.66  0.0  0.07  1.0
  Ga  Ga2  1  0.29  0.0  0.93  1.0
  Ni  Ni3  1  0.87  0.0  0.07  1.0
  As  As0  1  0.92  0.0  0.98  1.0

data_Ga2NiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.61
_cell_length_c   5.77
_cell_angle_alpha   110.42
_cell_angle_beta   90.0
_cell_angle_gamma   108.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiAs
_chemical_formula_sum   'Ga2 Ni1 As1'
_cell_volume   67.75
_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  0.0  0.34  0.93  1.0
  Ga  Ga1  1  0.0  0.71  0.07  1.0
  Ni  Ni2  1  0.0  0.13  0.93  1.0
  As  As3  1  0.0  0.08  0.02  1.0

Ga Ga Ni As