data_ScMnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   18.95
_cell_angle_beta   18.95
_cell_angle_gamma   18.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnIn2
_chemical_formula_sum   'Sc1 Mn1 In2'
_cell_volume   87.65
_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
  Sc  Sc3  1  0.0  0.0  0.94  1.0
  Mn  Mn2  1  0.0  0.0  0.4  1.0
  In  In0  1  0.0  0.0  0.06  1.0
  In  In1  1  0.0  0.0  0.04  1.0

data_ScMnIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   3.24
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnIn2
_chemical_formula_sum   'Sc2 Mn2 In4'
_cell_volume   175.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.06  1.0
  Mn  Mn1  2  0.0  0.0  0.6  1.0
  In  In2  2  0.0  0.0  0.94  1.0
  In  In3  2  0.0  0.0  0.96  1.0

Sc Mn In In