data_NaY2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   125.76
_cell_angle_beta   125.76
_cell_angle_gamma   80.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaY2Ta
_chemical_formula_sum   'Na1 Y2 Ta1'
_cell_volume   104.22
_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
  Y  Y2  1  0.0  0.5  0.09  1.0
  Y  Y3  1  0.5  0.0  0.09  1.0
  Ta  Ta1  1  0.0  0.0  0.18  1.0

data_NaY2Ta
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   130.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaY2Ta
_chemical_formula_sum   'Na2 Y4 Ta2'
_cell_volume   208.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Y  Y1  4  0.25  0.25  0.6  1.0
  Ta  Ta2  2  0.0  0.0  0.18  1.0

Na Y Y Ta
Na Y Y Ta 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o + o 2 3 + o o 