data_Mg2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.35
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaRh
_chemical_formula_sum   'Mg2 Ta1 Rh1'
_cell_volume   70.97
_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
  Mg  Mg0  1  0.0  0.0  0.01  1.0
  Mg  Mg1  1  0.67  0.18  0.45  1.0
  Ta  Ta3  1  0.93  0.18  0.07  1.0
  Rh  Rh2  1  0.73  0.0  0.95  1.0

data_Mg2TaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.35
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaRh
_chemical_formula_sum   'Mg2 Ta1 Rh1'
_cell_volume   70.97
_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
  Mg  Mg0  1  0.0  0.0  0.01  1.0
  Mg  Mg1  1  0.67  0.18  0.45  1.0
  Ta  Ta2  1  0.93  0.18  0.07  1.0
  Rh  Rh3  1  0.73  0.0  0.95  1.0

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