data_NaMn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2In
_chemical_formula_sum   'Na1 Mn2 In1'
_cell_volume   65.92
_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  Mn1  1  0.57  0.0  0.97  1.0
  Mn  Mn2  1  0.57  0.0  0.57  1.0
  In  In0  1  0.0  0.0  0.77  1.0

data_NaMn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2In
_chemical_formula_sum   'Na1 Mn2 In1'
_cell_volume   65.92
_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  0.57  0.0  0.57  1.0
  Mn  Mn2  1  0.57  0.0  0.97  1.0
  In  In3  1  0.0  0.0  0.77  1.0

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