data_MnIn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn5
_chemical_formula_sum   'Mn1 In5'
_cell_volume   132.38
_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
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  In  In0  1  0.73  0.0  0.61  1.0
  In  In1  1  0.84  0.46  0.61  1.0
  In  In2  1  0.14  0.23  0.61  1.0
  In  In3  1  0.71  0.56  0.0  1.0
  In  In4  1  0.0  0.13  0.0  1.0

data_MnIn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn5
_chemical_formula_sum   'Mn1 In5'
_cell_volume   132.38
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  In  In1  1  -0.0  0.71  0.56  1.0
  In  In2  1  0.0  0.0  0.13  1.0
  In  In3  1  0.61  0.14  0.23  1.0
  In  In4  1  0.61  0.73  0.0  1.0
  In  In5  1  0.61  0.84  0.46  1.0

Mn In In In In In