data_TaZn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   131.3
_cell_angle_beta   126.5
_cell_angle_gamma   75.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Os
_chemical_formula_sum   'Ta1 Zn2 Os1'
_cell_volume   60.84
_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  0.0  0.0  0.88  1.0
  Zn  Zn2  1  0.0  0.11  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.64  1.0
  Os  Os0  1  0.94  0.0  0.71  1.0

data_TaZn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.23
_cell_length_c   4.69
_cell_angle_alpha   116.75
_cell_angle_beta   114.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Os
_chemical_formula_sum   'Ta1 Zn2 Os1'
_cell_volume   60.84
_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  0.12  0.12  0.12  1.0
  Zn  Zn1  1  0.35  0.46  0.46  1.0
  Zn  Zn2  1  0.36  0.36  0.36  1.0
  Os  Os3  1  0.23  0.29  0.23  1.0

Ta Zn Zn Os