data_NaMnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   6.33
_cell_angle_alpha   97.74
_cell_angle_beta   97.74
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnIn2
_chemical_formula_sum   'Na1 Mn1 In2'
_cell_volume   93.64
_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
  Mn  Mn2  1  0.24  0.0  0.13  1.0
  In  In0  1  0.86  0.0  0.78  1.0
  In  In1  1  0.62  0.0  0.49  1.0

data_NaMnIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.95
_cell_length_c   6.33
_cell_angle_alpha   97.74
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnIn2
_chemical_formula_sum   'Na1 Mn1 In2'
_cell_volume   93.64
_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
  Mn  Mn1  1  0.0  0.76  0.87  1.0
  In  In2  1  0.0  0.14  0.22  1.0
  In  In3  1  0.0  0.38  0.51  1.0

Na Mn In In
Na Mn In In 0 2 - o - 0 1 o o o 2 3 o o o 