data_BaHf2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   158.9
_cell_angle_beta   158.31
_cell_angle_gamma   30.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHf2Co
_chemical_formula_sum   'Ba1 Hf2 Co1'
_cell_volume   107.78
_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  0.75  0.21  1.0
  Hf  Hf2  1  0.0  0.75  0.11  1.0
  Hf  Hf3  1  0.0  0.0  0.44  1.0
  Co  Co1  1  0.0  0.0  0.23  1.0

data_BaHf2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.51
_cell_length_c   9.32
_cell_angle_alpha   100.85
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHf2Co
_chemical_formula_sum   'Ba1 Hf2 Co1'
_cell_volume   107.78
_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  0.25  0.45  0.45  1.0
  Hf  Hf1  1  0.0  0.44  0.44  1.0
  Hf  Hf2  1  0.25  0.36  0.36  1.0
  Co  Co3  1  0.0  0.23  0.23  1.0

Ba Hf Hf Co