data_BaNaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.5
_cell_angle_alpha   118.64
_cell_angle_beta   118.64
_cell_angle_gamma   42.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaCo2
_chemical_formula_sum   'Ba1 Na1 Co2'
_cell_volume   112.41
_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  0.39  0.0  0.79  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.57  0.0  0.19  1.0
  Co  Co2  1  0.21  0.0  0.38  1.0

data_BaNaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   5.44
_cell_length_c   6.16
_cell_angle_alpha   67.84
_cell_angle_beta   71.16
_cell_angle_gamma   68.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaCo2
_chemical_formula_sum   'Ba1 Na1 Co2'
_cell_volume   112.41
_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  0.6  0.79  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.38  0.19  1.0
  Co  Co3  1  0.0  0.83  0.38  1.0

Ba Na Co Co