data_Na2MgTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.72
_cell_angle_alpha   95.05
_cell_angle_beta   95.05
_cell_angle_gamma   26.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgTa
_chemical_formula_sum   'Na2 Mg1 Ta1'
_cell_volume   91.16
_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  0.59  0.0  0.48  1.0
  Na  Na2  1  0.55  0.0  0.21  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.57  0.0  0.85  1.0

data_Na2MgTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.72
_cell_length_c   5.99
_cell_angle_alpha   95.05
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgTa
_chemical_formula_sum   'Na2 Mg1 Ta1'
_cell_volume   91.16
_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  0.21  0.55  1.0
  Na  Na1  1  0.0  0.48  0.59  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.85  0.57  1.0

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