data_Y2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   148.03
_cell_angle_beta   135.61
_cell_angle_gamma   55.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaNi
_chemical_formula_sum   'Y2 Ga1 Ni1'
_cell_volume   85.74
_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  0.69  0.0  0.06  1.0
  Y  Y3  1  0.0  0.0  0.17  1.0
  Ga  Ga0  1  0.69  0.0  0.62  1.0
  Ni  Ni1  1  0.0  0.0  0.47  1.0

data_Y2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.65
_cell_length_c   6.15
_cell_angle_alpha   112.19
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaNi
_chemical_formula_sum   'Y2 Ga1 Ni1'
_cell_volume   85.74
_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  0.64  0.94  0.64  1.0
  Y  Y1  1  0.83  0.83  0.83  1.0
  Ga  Ga2  1  0.07  0.38  0.07  1.0
  Ni  Ni3  1  0.53  0.53  0.53  1.0

Y Y Ga Ni
Y Y Ga Ni 0 1 + o o 0 2 o o - 0 3 + o o 1 2 o o o 1 2 - o - 1 3 o o o 2 3 + o o 