data_MnMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.7
_cell_angle_alpha   98.91
_cell_angle_beta   98.91
_cell_angle_gamma   116.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMo2Os
_chemical_formula_sum   'Mn1 Mo2 Os1'
_cell_volume   59.27
_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  Mn0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.94  0.15  0.29  1.0
  Mo  Mo2  1  0.94  0.85  0.29  1.0
  Os  Os3  1  0.67  0.0  0.0  1.0

data_MnMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   116.29
_cell_angle_beta   98.91
_cell_angle_gamma   98.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnMo2Os
_chemical_formula_sum   'Mn1 Mo2 Os1'
_cell_volume   59.27
_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  Mn0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.29  0.94  0.85  1.0
  Mo  Mo2  1  0.29  0.94  0.15  1.0
  Os  Os3  1  0.0  0.67  0.0  1.0

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