data_BaFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.02
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFeCo2
_chemical_formula_sum   'Ba1 Fe1 Co2'
_cell_volume   87.57
_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  0.42  0.0  0.68  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.01  0.01  0.49  1.0
  Co  Co2  1  0.82  0.01  0.86  1.0

data_BaFeCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.07
_cell_length_b   4.02
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaFeCo2
_chemical_formula_sum   'Ba1 Fe1 Co2'
_cell_volume   87.57
_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  0.42  0.0  0.68  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.01  0.0  0.49  1.0
  Co  Co3  1  0.82  0.0  0.86  1.0

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