data_MgTaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   2.8
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   111.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaRu2
_chemical_formula_sum   'Mg1 Ta1 Ru2'
_cell_volume   63.01
_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  0.0  1.0
  Ta  Ta3  1  0.89  0.0  0.0  1.0
  Ru  Ru1  1  0.89  0.11  0.29  1.0
  Ru  Ru2  1  0.89  0.89  0.29  1.0

data_MgTaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   111.23
_cell_angle_beta   102.91
_cell_angle_gamma   102.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaRu2
_chemical_formula_sum   'Mg1 Ta1 Ru2'
_cell_volume   63.01
_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  0.0  1.0
  Ta  Ta1  1  -0.0  0.89  0.0  1.0
  Ru  Ru2  1  0.29  0.89  0.11  1.0
  Ru  Ru3  1  0.29  0.89  0.89  1.0

Mg Ta Ru Ru
Mg Ta Ru Ru 0 1 - o o 0 3 - - o 1 2 o o o 1 3 o - o 2 3 o - o 