data_Ba2GaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   5.52
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaCo
_chemical_formula_sum   'Ba2 Ga1 Co1'
_cell_volume   124.69
_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
  Ba  Ba0  1  0.01  0.76  0.0  1.0
  Ba  Ba1  1  0.01  0.0  0.81  1.0
  Ga  Ga3  1  0.0  0.76  0.81  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Ba2GaCo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.52
_cell_length_b   4.01
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2GaCo
_chemical_formula_sum   'Ba2 Ga1 Co1'
_cell_volume   124.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.0  0.0  0.81  1.0
  Ba  Ba1  1  0.76  0.0  0.0  1.0
  Ga  Ga2  1  0.76  0.0  0.81  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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