data_NaTa2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   135.25
_cell_angle_beta   135.25
_cell_angle_gamma   65.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Mn
_chemical_formula_sum   'Na1 Ta2 Mn1'
_cell_volume   66.2
_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  0.96  0.0  0.16  1.0
  Ta  Ta3  1  0.0  0.0  0.33  1.0
  Mn  Mn0  1  0.0  0.96  0.16  1.0

data_NaTa2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.14
_cell_angle_alpha   112.37
_cell_angle_beta   112.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Mn
_chemical_formula_sum   'Na1 Ta2 Mn1'
_cell_volume   66.2
_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  0.67  0.0  0.67  1.0
  Ta  Ta2  1  0.84  0.0  0.79  1.0
  Mn  Mn3  1  0.79  0.96  0.79  1.0

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