data_CrGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   4.05
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaNi2
_chemical_formula_sum   'Cr1 Ga1 Ni2'
_cell_volume   47.31
_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  0.9  0.0  0.09  1.0
  Ga  Ga1  1  0.16  0.02  0.7  1.0
  Ni  Ni2  1  0.48  0.0  0.47  1.0
  Ni  Ni3  1  0.14  0.02  0.31  1.0

data_CrGaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.05
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   97.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaNi2
_chemical_formula_sum   'Cr1 Ga1 Ni2'
_cell_volume   47.31
_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  0.9  0.0  0.09  1.0
  Ga  Ga1  1  0.16  0.02  0.7  1.0
  Ni  Ni2  1  0.14  0.02  0.31  1.0
  Ni  Ni3  1  0.48  0.0  0.47  1.0

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