data_Zn2FeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   127.92
_cell_angle_beta   127.92
_cell_angle_gamma   76.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeOs
_chemical_formula_sum   'Zn2 Fe1 Os1'
_cell_volume   53.89
_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
  Zn  Zn2  1  0.0  0.0  0.5  1.0
  Zn  Zn3  1  0.0  0.96  0.75  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.96  0.0  0.75  1.0

data_Zn2FeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.47
_cell_angle_alpha   116.04
_cell_angle_beta   116.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeOs
_chemical_formula_sum   'Zn2 Fe1 Os1'
_cell_volume   53.89
_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
  Zn  Zn0  1  0.5  0.5  0.5  1.0
  Zn  Zn1  1  0.79  0.75  0.79  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.75  0.79  0.79  1.0

Zn Zn Fe Os