data_CrGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   18.93
_cell_angle_beta   18.93
_cell_angle_gamma   18.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Ni
_chemical_formula_sum   'Cr1 Ga2 Ni1'
_cell_volume   52.4
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.04  1.0
  Ga  Ga2  1  0.0  0.0  0.38  1.0
  Ni  Ni3  1  0.0  0.0  0.21  1.0

data_CrGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.73
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrGa2Ni
_chemical_formula_sum   'Cr2 Ga4 Ni2'
_cell_volume   104.8
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.62  1.0
  Ga  Ga2  2  0.0  0.0  0.96  1.0
  Ni  Ni3  2  0.0  0.0  0.79  1.0

Cr Ga Ga Ni
Cr Ga Ga Ni 0 1 o o o 1 3 o o o 2 3 o o o 