data_Ta3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   145.6
_cell_angle_beta   130.26
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta3 Os1'
_cell_volume   68.4
_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  Ta1  1  0.61  0.0  0.37  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.28  0.29  1.0
  Os  Os0  1  0.0  0.0  0.66  1.0

data_Ta3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.57
_cell_length_c   5.43
_cell_angle_alpha   114.87
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta3 Os1'
_cell_volume   68.4
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.37  0.77  1.0
  Ta  Ta2  1  0.72  0.0  0.0  1.0
  Os  Os3  1  0.0  0.66  0.66  1.0

Ta Ta Ta Os