data_TaAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.62
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Os
_chemical_formula_sum   'Ta1 As2 Os1'
_cell_volume   64.22
_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  Ta3  1  0.0  0.31  0.21  1.0
  As  As0  1  0.0  0.0  0.52  1.0
  As  As1  1  0.53  0.31  0.43  1.0
  Os  Os2  1  0.53  0.0  0.2  1.0

data_TaAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.55
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Os
_chemical_formula_sum   'Ta1 As2 Os1'
_cell_volume   64.22
_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  0.0  0.79  0.69  1.0
  As  As1  1  0.0  0.48  0.0  1.0
  As  As2  1  0.47  0.57  0.69  1.0
  Os  Os3  1  0.47  0.8  0.0  1.0

Ta As As Os