data_TaVOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVOs2
_chemical_formula_sum   'Ta1 V1 Os2'
_cell_volume   60.83
_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  0.52  0.0  0.35  1.0
  V  V3  1  0.0  0.0  0.11  1.0
  Os  Os0  1  0.52  0.0  0.13  1.0
  Os  Os1  1  0.0  0.0  0.57  1.0

data_TaVOs2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.74
_cell_length_b   8.77
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TaVOs2
_chemical_formula_sum   'Ta1 V1 Os2'
_cell_volume   60.83
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.65  0.0  1.0
  V  V1  1  0.0  0.89  0.0  1.0
  Os  Os2  1  0.0  0.43  0.0  1.0
  Os  Os3  1  0.5  0.87  0.0  1.0

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