data_GaCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   129.32
_cell_angle_beta   129.32
_cell_angle_gamma   74.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ni
_chemical_formula_sum   'Ga1 Co2 Ni1'
_cell_volume   45.92
_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
  Ga  Ga2  1  0.83  0.0  0.71  1.0
  Co  Co0  1  0.0  0.83  0.71  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.41  1.0

data_GaCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.29
_cell_angle_alpha   115.34
_cell_angle_beta   115.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Ni
_chemical_formula_sum   'Ga1 Co2 Ni1'
_cell_volume   45.92
_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
  Ga  Ga0  1  0.29  0.0  0.13  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.13  0.83  0.13  1.0
  Ni  Ni3  1  0.59  0.0  0.59  1.0

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