data_Na2TaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.71
_cell_angle_alpha   94.25
_cell_angle_beta   94.25
_cell_angle_gamma   42.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaCo
_chemical_formula_sum   'Na2 Ta1 Co1'
_cell_volume   83.69
_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
  Na  Na1  1  0.8  0.0  0.33  1.0
  Na  Na2  1  0.48  0.0  0.06  1.0
  Ta  Ta3  1  0.5  0.0  0.4  1.0
  Co  Co0  1  0.39  0.0  0.43  1.0

data_Na2TaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.01
_cell_length_c   7.71
_cell_angle_alpha   94.25
_cell_angle_beta   90.0
_cell_angle_gamma   111.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaCo
_chemical_formula_sum   'Na2 Ta1 Co1'
_cell_volume   83.69
_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
  Na  Na0  1  0.0  0.2  0.67  1.0
  Na  Na1  1  0.0  0.52  0.94  1.0
  Ta  Ta2  1  0.0  0.5  0.6  1.0
  Co  Co3  1  0.0  0.61  0.57  1.0

Na Na Ta Co
Na Na Ta Co 0 2 o o o 0 1 o o o 1 3 o o o 1 1 + - o 1 2 o o o 2 3 o o o 