data_NaTa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   2.72
_cell_angle_alpha   99.59
_cell_angle_beta   99.59
_cell_angle_gamma   118.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Co
_chemical_formula_sum   'Na1 Ta2 Co1'
_cell_volume   66.87
_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  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.95  0.33  0.29  1.0
  Ta  Ta3  1  0.95  0.67  0.29  1.0
  Co  Co0  1  0.79  0.0  0.0  1.0

data_NaTa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.36
_cell_length_c   5.43
_cell_angle_alpha   116.78
_cell_angle_beta   99.59
_cell_angle_gamma   99.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Co
_chemical_formula_sum   'Na1 Ta2 Co1'
_cell_volume   66.87
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.62  0.33  0.28  1.0
  Ta  Ta2  1  0.96  0.67  0.62  1.0
  Co  Co3  1  0.0  0.0  0.79  1.0

Na Ta Ta Co