data_Mn2InOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InOs
_chemical_formula_sum   'Mn2 In1 Os1'
_cell_volume   62.27
_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  Mn1  1  0.57  0.57  0.29  1.0
  Mn  Mn2  1  0.0  0.0  0.54  1.0
  In  In0  1  0.0  0.0  0.74  1.0
  Os  Os3  1  0.57  0.57  0.87  1.0

data_Mn2InOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2InOs
_chemical_formula_sum   'Mn4 In2 Os2'
_cell_volume   124.54
_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  0.54  1.0
  Mn  Mn1  2  0.07  0.5  0.29  1.0
  In  In2  2  0.0  0.0  0.74  1.0
  Os  Os3  2  0.07  0.5  0.87  1.0

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