data_MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn
_chemical_formula_sum   'Mn2 In2'
_cell_volume   96.53
_cell_formula_units_Z   2
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  Mn2  1  0.87  0.19  0.56  1.0
  Mn  Mn3  1  0.87  0.81  0.19  1.0
  In  In0  1  0.87  0.04  0.56  1.0
  In  In1  1  0.87  0.96  0.19  1.0

data_MnIn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.74
_cell_length_b   4.74
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnIn
_chemical_formula_sum   'Mn2 In2'
_cell_volume   96.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.19  0.31  0.19  1.0
  In  In1  2  0.04  0.31  0.04  1.0

Mn Mn In In
Mn Mn In In 0 2 o o o 1 3 o o o 