data_MnIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.46
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Sb
_chemical_formula_sum   'Mn1 In2 Sb1'
_cell_volume   93.61
_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  Mn2  1  0.0  0.0  0.36  1.0
  In  In0  1  0.0  0.0  0.08  1.0
  In  In1  1  0.57  0.73  0.57  1.0
  Sb  Sb3  1  0.57  0.73  0.92  1.0

data_MnIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.46
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Sb
_chemical_formula_sum   'Mn1 In2 Sb1'
_cell_volume   93.61
_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  0.36  1.0
  In  In1  1  0.0  0.0  0.08  1.0
  In  In2  1  0.57  0.73  0.57  1.0
  Sb  Sb3  1  0.57  0.73  0.92  1.0

Mn In In Sb
Mn In In Sb 0 2 - - o 0 2 o - o 0 1 o o o 1 3 - - - 1 3 o - - 2 2 + o o 2 3 o o o 