data_TaFeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   146.51
_cell_angle_beta   135.32
_cell_angle_gamma   56.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeOs
_chemical_formula_sum   'Ta1 Fe1 Os1'
_cell_volume   43.45
_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
  Ta  Ta2  1  0.0  0.0  0.84  1.0
  Fe  Fe0  1  0.0  0.0  0.13  1.0
  Os  Os1  1  0.0  0.0  0.53  1.0

data_TaFeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.67
_cell_length_c   4.83
_cell_angle_alpha   112.34
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeOs
_chemical_formula_sum   'Ta1 Fe1 Os1'
_cell_volume   43.45
_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
  Ta  Ta0  1  0.16  0.16  0.16  1.0
  Fe  Fe1  1  0.87  0.87  0.87  1.0
  Os  Os2  1  0.47  0.47  0.47  1.0

Ta Fe Os
Ta Fe Os 0 2 o o o 0 1 o o + 