data_TaAgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   126.69
_cell_angle_beta   126.69
_cell_angle_gamma   78.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgRh2
_chemical_formula_sum   'Ta1 Ag1 Rh2'
_cell_volume   62.91
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.09  0.0  0.8  1.0
  Rh  Rh2  1  0.0  0.09  0.8  1.0

data_TaAgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   129.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAgRh2
_chemical_formula_sum   'Ta2 Ag2 Rh4'
_cell_volume   125.81
_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
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  4  0.24  0.04  0.29  1.0

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