data_MnFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   149.36
_cell_angle_beta   130.94
_cell_angle_gamma   58.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeOs2
_chemical_formula_sum   'Mn1 Fe1 Os2'
_cell_volume   54.27
_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  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.54  1.0
  Os  Os2  1  0.0  0.17  0.51  1.0
  Os  Os3  1  0.38  0.0  0.03  1.0

data_MnFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.33
_cell_length_c   5.22
_cell_angle_alpha   114.53
_cell_angle_beta   105.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeOs2
_chemical_formula_sum   'Mn1 Fe1 Os2'
_cell_volume   54.27
_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
  Fe  Fe1  1  0.46  0.46  0.46  1.0
  Os  Os2  1  0.35  0.97  0.35  1.0
  Os  Os3  1  0.49  0.65  0.65  1.0

Mn Fe Os Os