data_MnSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.13
_cell_angle_alpha   102.36
_cell_angle_beta   102.36
_cell_angle_gamma   38.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Os
_chemical_formula_sum   'Mn1 Sb2 Os1'
_cell_volume   75.81
_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  0.99  0.0  0.7  1.0
  Sb  Sb2  1  0.03  0.0  0.31  1.0
  Sb  Sb3  1  0.45  0.0  0.31  1.0
  Os  Os1  1  0.68  0.0  0.18  1.0

data_MnSb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.91
_cell_length_c   5.13
_cell_angle_alpha   102.36
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSb2Os
_chemical_formula_sum   'Mn1 Sb2 Os1'
_cell_volume   75.81
_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  0.01  0.3  1.0
  Sb  Sb1  1  0.0  0.55  0.69  1.0
  Sb  Sb2  1  0.0  0.97  0.69  1.0
  Os  Os3  1  0.0  0.32  0.82  1.0

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