data_MnMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.22
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMo2Os
_chemical_formula_sum   'Mn1 Mo2 Os1'
_cell_volume   58.96
_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  0.0  1.0
  Mo  Mo1  1  0.99  0.11  0.26  1.0
  Mo  Mo2  1  0.38  0.11  0.87  1.0
  Os  Os3  1  0.33  0.0  0.57  1.0

data_MnMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.22
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMo2Os
_chemical_formula_sum   'Mn1 Mo2 Os1'
_cell_volume   58.96
_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  0.0  1.0
  Mo  Mo1  1  0.38  0.11  0.87  1.0
  Mo  Mo2  1  0.99  0.11  0.26  1.0
  Os  Os3  1  0.33  0.0  0.57  1.0

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