data_Ta2CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   101.04
_cell_angle_beta   101.04
_cell_angle_gamma   39.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrRu
_chemical_formula_sum   'Ta2 Cr1 Ru1'
_cell_volume   64.06
_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  Ta2  1  0.32  0.0  0.89  1.0
  Ta  Ta3  1  0.97  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.65  0.0  0.57  1.0

data_Ta2CrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   101.04
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrRu
_chemical_formula_sum   'Ta2 Cr1 Ru1'
_cell_volume   64.06
_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  0.0  0.03  0.75  1.0
  Ta  Ta1  1  0.0  0.68  0.11  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.35  0.43  1.0

Ta Ta Cr Ru
Ta Ta Cr Ru 0 2 o o + 0 3 o o o 1 2 + o o 1 3 o o o 2 3 - o - 