data_Ta2MnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.95
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnRh
_chemical_formula_sum   'Ta2 Mn1 Rh1'
_cell_volume   61.99
_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  0.72  0.97  0.2  1.0
  Ta  Ta3  1  0.09  0.97  0.32  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.48  0.0  0.76  1.0

data_Ta2MnRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.95
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnRh
_chemical_formula_sum   'Ta2 Mn1 Rh1'
_cell_volume   61.99
_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  0.09  0.97  0.32  1.0
  Ta  Ta1  1  0.72  0.97  0.2  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.48  0.0  0.76  1.0

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