data_TaMn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   18.39
_cell_angle_beta   18.39
_cell_angle_gamma   18.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMn2Rh
_chemical_formula_sum   'Ta1 Mn2 Rh1'
_cell_volume   59.9
_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  0.02  1.0
  Mn  Mn0  1  0.0  0.0  0.6  1.0
  Mn  Mn1  1  0.0  0.0  0.45  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaMn2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMn2Rh
_chemical_formula_sum   'Ta2 Mn4 Rh2'
_cell_volume   119.8
_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  0.0  0.0  0.98  1.0
  Mn  Mn1  2  0.0  0.0  0.4  1.0
  Mn  Mn2  2  0.0  0.0  0.55  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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