data_Sr2MnIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   5.71
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnIn
_chemical_formula_sum   'Sr2 Mn1 In1'
_cell_volume   130.5
_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  Sr2  1  0.2  0.0  0.19  1.0
  Sr  Sr3  1  0.27  0.0  0.74  1.0
  Mn  Mn1  1  0.45  0.0  0.42  1.0
  In  In0  1  0.79  0.0  0.53  1.0

data_Sr2MnIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.71
_cell_length_c   6.65
_cell_angle_alpha   112.07
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnIn
_chemical_formula_sum   'Sr2 Mn1 In1'
_cell_volume   130.5
_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  0.19  0.2  1.0
  Sr  Sr1  1  0.0  0.74  0.27  1.0
  Mn  Mn2  1  0.0  0.42  0.45  1.0
  In  In3  1  0.0  0.53  0.79  1.0

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