data_TaMnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.74
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnRh2
_chemical_formula_sum   'Ta1 Mn1 Rh2'
_cell_volume   60.06
_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  0.44  0.87  0.76  1.0
  Mn  Mn0  1  0.0  0.0  0.33  1.0
  Rh  Rh1  1  0.44  0.87  0.46  1.0
  Rh  Rh2  1  0.0  0.0  0.45  1.0

data_TaMnRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.74
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnRh2
_chemical_formula_sum   'Ta1 Mn1 Rh2'
_cell_volume   60.06
_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  Ta0  1  0.44  0.87  0.76  1.0
  Mn  Mn1  1  0.0  0.0  0.33  1.0
  Rh  Rh2  1  0.0  0.0  0.45  1.0
  Rh  Rh3  1  0.44  0.87  0.46  1.0

Ta Mn Rh Rh
Ta Mn Rh Rh 0 2 o o o 1 3 o o o 1 2 o - o 2 3 o + o 2 3 + + o 