data_Fe2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   146.05
_cell_angle_beta   131.06
_cell_angle_gamma   60.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OsSe
_chemical_formula_sum   'Fe2 Os1 Se1'
_cell_volume   54.38
_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  0.1  0.26  1.0
  Fe  Fe1  1  0.0  0.0  0.16  1.0
  Os  Os2  1  0.0  0.1  0.13  1.0
  Se  Se3  1  0.0  0.0  0.57  1.0

data_Fe2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.2
_cell_length_c   5.07
_cell_angle_alpha   114.47
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2OsSe
_chemical_formula_sum   'Fe2 Os1 Se1'
_cell_volume   54.38
_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  0.74  0.84  0.84  1.0
  Fe  Fe1  1  0.84  0.84  0.84  1.0
  Os  Os2  1  0.87  0.97  0.97  1.0
  Se  Se3  1  0.43  0.43  0.43  1.0

Fe Fe Os Se