data_MnIn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   18.93
_cell_angle_beta   18.93
_cell_angle_gamma   18.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Os
_chemical_formula_sum   'Mn1 In2 Os1'
_cell_volume   74.01
_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  0.95  1.0
  In  In0  1  0.0  0.0  0.17  1.0
  In  In1  1  0.0  0.0  0.79  1.0
  Os  Os3  1  0.0  0.0  0.59  1.0

data_MnIn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   3.06
_cell_length_c   9.3
_cell_angle_alpha   90.0
_cell_angle_beta   100.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnIn2Os
_chemical_formula_sum   'Mn2 In4 Os2'
_cell_volume   148.01
_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
  Mn  Mn0  2  -0.0  0.0  0.05  1.0
  In  In1  2  -0.0  0.0  0.21  1.0
  In  In2  2  -0.0  0.0  0.83  1.0
  Os  Os3  2  -0.0  0.0  0.41  1.0

Mn In In Os
Mn In In Os 0 2 o o o 0 1 o o + 2 3 o o o 