data_ZrGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   132.53
_cell_angle_beta   132.06
_cell_angle_gamma   69.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Ni
_chemical_formula_sum   'Zr1 Ga2 Ni1'
_cell_volume   64.85
_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
  Zr  Zr3  1  0.99  0.0  0.05  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.01  0.98  1.0
  Ni  Ni2  1  0.0  0.0  0.08  1.0

data_ZrGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   124.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2Ni
_chemical_formula_sum   'Zr2 Ga4 Ni2'
_cell_volume   129.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.45  0.5  0.94  1.0
  Ga  Ga1  2  0.0  0.0  1.0  1.0
  Ga  Ga2  2  0.03  0.0  0.03  1.0
  Ni  Ni3  2  0.43  0.5  0.92  1.0

Zr Ga Ga Ni