data_NaMgIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgIn2
_chemical_formula_sum   'Na1 Mg1 In2'
_cell_volume   99.41
_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  Na3  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.31  0.0  0.0  1.0
  In  In0  1  0.66  0.31  0.62  1.0
  In  In1  1  0.66  0.69  0.62  1.0

data_NaMgIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   108.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgIn2
_chemical_formula_sum   'Na1 Mg1 In2'
_cell_volume   99.41
_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
  Mg  Mg1  1  0.0  0.31  0.0  1.0
  In  In2  1  0.62  0.66  0.31  1.0
  In  In3  1  0.62  0.66  0.69  1.0

Na Mg In In