data_Ta2AgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgOs
_chemical_formula_sum   'Ta2 Ag1 Os1'
_cell_volume   67.18
_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  0.44  0.07  0.52  1.0
  Ta  Ta3  1  0.44  0.93  0.52  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.87  0.0  0.0  1.0

data_Ta2AgOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.81
_cell_length_b   3.03
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2AgOs
_chemical_formula_sum   'Ta2 Ag1 Os1'
_cell_volume   67.18
_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  0.44  0.5  0.93  1.0
  Ta  Ta1  1  0.44  0.5  0.07  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.87  0.0  0.0  1.0

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