data_SrMn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   3.14
_cell_angle_alpha   102.8
_cell_angle_beta   102.8
_cell_angle_gamma   114.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2In
_chemical_formula_sum   'Sr1 Mn2 In1'
_cell_volume   94.21
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.97  0.46  0.43  1.0
  Mn  Mn2  1  0.97  0.54  0.43  1.0
  In  In0  1  0.24  0.0  0.0  1.0

data_SrMn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.92
_cell_length_c   6.02
_cell_angle_alpha   118.09
_cell_angle_beta   102.8
_cell_angle_gamma   94.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2In
_chemical_formula_sum   'Sr1 Mn2 In1'
_cell_volume   94.21
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.89  0.46  0.43  1.0
  Mn  Mn2  1  0.97  0.54  0.51  1.0
  In  In3  1  0.0  0.0  0.24  1.0

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