data_FeMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   132.8
_cell_angle_beta   132.8
_cell_angle_gamma   68.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Os
_chemical_formula_sum   'Fe1 Mo2 Os1'
_cell_volume   57.13
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.91  0.0  0.96  1.0
  Mo  Mo2  1  0.0  0.0  0.93  1.0
  Os  Os3  1  0.0  0.91  0.96  1.0

data_FeMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.76
_cell_angle_alpha   113.6
_cell_angle_beta   113.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Os
_chemical_formula_sum   'Fe1 Mo2 Os1'
_cell_volume   57.13
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.93  0.93  0.93  1.0
  Mo  Mo2  1  0.96  0.06  0.06  1.0
  Os  Os3  1  0.06  0.96  0.06  1.0

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