data_TaSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   125.77
_cell_angle_beta   125.77
_cell_angle_gamma   80.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnOs2
_chemical_formula_sum   'Ta1 Sn1 Os2'
_cell_volume   66.47
_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  Ta3  1  0.0  0.0  0.6  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.15  0.8  1.0
  Os  Os1  1  0.15  0.0  0.8  1.0

data_TaSnOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   130.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSnOs2
_chemical_formula_sum   'Ta2 Sn2 Os4'
_cell_volume   132.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.0  0.4  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Os  Os2  4  0.27  0.07  0.35  1.0

Ta Sn Os Os
Ta Sn Os Os 0 2 o o o 0 3 o o o 1 2 o o - 1 3 o o - 2 3 o o o 