data_Ta2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   143.01
_cell_angle_beta   126.61
_cell_angle_gamma   66.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AsOs
_chemical_formula_sum   'Ta2 As1 Os1'
_cell_volume   65.65
_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  0.32  0.2  1.0
  Ta  Ta3  1  0.64  0.0  0.12  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.31  1.0

data_Ta2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.64
_cell_length_c   5.17
_cell_angle_alpha   116.7
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AsOs
_chemical_formula_sum   'Ta2 As1 Os1'
_cell_volume   65.65
_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  0.52  0.88  0.52  1.0
  Ta  Ta1  1  0.8  0.12  0.12  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.69  0.69  0.69  1.0

Ta Ta As Os