data_Cr2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   3.96
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaNi
_chemical_formula_sum   'Cr2 Ga1 Ni1'
_cell_volume   48.17
_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  0.16  0.98  0.16  1.0
  Cr  Cr1  1  0.98  0.98  0.68  1.0
  Ga  Ga2  1  0.81  0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Cr2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   3.96
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   94.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaNi
_chemical_formula_sum   'Cr2 Ga1 Ni1'
_cell_volume   48.17
_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  0.16  0.98  0.16  1.0
  Cr  Cr1  1  0.98  0.98  0.68  1.0
  Ga  Ga2  1  0.81  0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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