data_NaTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.72
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Re
_chemical_formula_sum   'Na1 Ta2 Re1'
_cell_volume   73.28
_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  0.92  1.0
  Ta  Ta2  1  0.0  0.0  0.77  1.0
  Ta  Ta3  1  0.33  0.36  0.36  1.0
  Re  Re1  1  0.33  0.36  0.58  1.0

data_NaTa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.72
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Re
_chemical_formula_sum   'Na1 Ta2 Re1'
_cell_volume   73.28
_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  0.92  1.0
  Ta  Ta1  1  0.0  0.0  0.77  1.0
  Ta  Ta2  1  0.33  0.36  0.36  1.0
  Re  Re3  1  0.33  0.36  0.58  1.0

Na Ta Ta Re
Na Ta Ta Re 0 1 o o o 2 3 o o o 