data_Nb2GaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2GaCo
_chemical_formula_sum   'Nb2 Ga1 Co1'
_cell_volume   61.12
_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
  Nb  Nb2  1  0.0  0.0  0.46  1.0
  Nb  Nb3  1  0.41  0.41  0.22  1.0
  Ga  Ga1  1  0.41  0.41  0.43  1.0
  Co  Co0  1  0.0  0.0  0.98  1.0

data_Nb2GaCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2GaCo
_chemical_formula_sum   'Nb4 Ga2 Co2'
_cell_volume   122.25
_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
  Nb  Nb0  2  0.0  0.0  0.46  1.0
  Nb  Nb1  2  0.41  0.0  0.22  1.0
  Ga  Ga2  2  0.41  0.0  0.43  1.0
  Co  Co3  2  0.0  0.0  0.98  1.0

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