data_TaAgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.18
_cell_length_c   2.95
_cell_angle_alpha   76.46
_cell_angle_beta   75.93
_cell_angle_gamma   27.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgIr
_chemical_formula_sum   'Ta1 Ag1 Ir1'
_cell_volume   50.84
_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  Ta2  1  0.07  0.11  0.92  1.0
  Ag  Ag0  1  0.07  0.11  0.64  1.0
  Ir  Ir1  1  0.07  0.11  0.75  1.0

data_TaAgIr
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.95
_cell_length_b   11.65
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   TaAgIr
_chemical_formula_sum   'Ta2 Ag2 Ir2'
_cell_volume   101.71
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.5  0.03  1.0
  Ag  Ag1  2  0.0  0.5  0.75  1.0
  Ir  Ir2  2  0.0  0.5  0.86  1.0

Ta Ag Ir