data_Na2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   151.97
_cell_angle_beta   138.6
_cell_angle_gamma   50.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaRh
_chemical_formula_sum   'Na2 Ta1 Rh1'
_cell_volume   77.45
_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  0.53  0.0  0.5  1.0
  Na  Na1  1  0.0  0.23  0.2  1.0
  Ta  Ta3  1  0.0  0.0  0.69  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Na2TaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.46
_cell_length_c   6.3
_cell_angle_alpha   110.7
_cell_angle_beta   104.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaRh
_chemical_formula_sum   'Na2 Ta1 Rh1'
_cell_volume   77.45
_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  0.03  0.5  0.03  1.0
  Na  Na1  1  0.8  0.03  0.03  1.0
  Ta  Ta2  1  0.31  0.31  0.31  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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