data_MnSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   152.78
_cell_angle_beta   143.14
_cell_angle_gamma   46.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Os
_chemical_formula_sum   'Mn1 Sb2 Os1'
_cell_volume   80.21
_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  0.87  1.0
  Sb  Sb2  1  0.0  0.0  0.66  1.0
  Sb  Sb3  1  0.56  0.0  0.6  1.0
  Os  Os1  1  0.0  0.1  0.3  1.0

data_MnSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.2
_cell_length_c   6.64
_cell_angle_alpha   108.43
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Os
_chemical_formula_sum   'Mn1 Sb2 Os1'
_cell_volume   80.21
_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  0.87  0.87  1.0
  Sb  Sb1  1  0.0  0.6  0.04  1.0
  Sb  Sb2  1  0.0  0.66  0.66  1.0
  Os  Os3  1  0.9  0.2  0.2  1.0

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