data_Y2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   122.2
_cell_angle_beta   119.83
_cell_angle_gamma   88.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaNi
_chemical_formula_sum   'Y2 Ga1 Ni1'
_cell_volume   86.58
_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  Y2  1  0.0  0.5  0.82  1.0
  Y  Y3  1  0.41  0.0  0.76  1.0
  Ga  Ga0  1  0.0  0.0  0.58  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_Y2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.17
_cell_angle_beta   61.1
_cell_angle_gamma   61.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaNi
_chemical_formula_sum   'Y2 Ga1 Ni1'
_cell_volume   86.58
_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  0.35  0.41  0.24  1.0
  Y  Y1  1  0.82  -0.0  0.68  1.0
  Ga  Ga2  1  0.58  -0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Y Y Ga Ni