data_BaGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   138.92
_cell_angle_beta   111.97
_cell_angle_gamma   82.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Co
_chemical_formula_sum   'Ba1 Ga2 Co1'
_cell_volume   99.56
_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  0.0  0.0  0.15  1.0
  Ga  Ga2  1  0.0  0.09  0.75  1.0
  Ga  Ga3  1  0.94  0.0  0.4  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_BaGa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   68.03
_cell_angle_beta   69.46
_cell_angle_gamma   69.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Co
_chemical_formula_sum   'Ba1 Ga2 Co1'
_cell_volume   99.56
_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  0.15  -0.0  0.85  1.0
  Ga  Ga1  1  0.46  0.94  0.6  1.0
  Ga  Ga2  1  0.75  0.0  0.34  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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