data_Ta2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   33.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BOs
_chemical_formula_sum   'Ta2 B1 Os1'
_cell_volume   57.85
_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  0.36  1.0
  Ta  Ta3  1  0.59  0.0  0.04  1.0
  B  B0  1  0.0  0.0  0.93  1.0
  Os  Os1  1  0.59  0.0  0.25  1.0

data_Ta2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.31
_cell_length_c   5.76
_cell_angle_alpha   106.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BOs
_chemical_formula_sum   'Ta2 B1 Os1'
_cell_volume   57.85
_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  0.36  0.36  1.0
  Ta  Ta1  1  0.41  0.04  0.04  1.0
  B  B2  1  0.0  0.93  0.93  1.0
  Os  Os3  1  0.41  0.25  0.25  1.0

Ta Ta B Os
Ta Ta B Os 0 3 - o o 1 3 o o o 1 2 + o - 