data_TaCuRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.83
_cell_length_c   3.16
_cell_angle_alpha   72.26
_cell_angle_beta   69.86
_cell_angle_gamma   37.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuRu
_chemical_formula_sum   'Ta1 Cu1 Ru1'
_cell_volume   43.1
_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  0.16  0.31  0.85  1.0
  Cu  Cu0  1  0.16  0.31  0.65  1.0
  Ru  Ru1  1  0.16  0.31  0.8  1.0

data_TaCuRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   8.65
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   133.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCuRu
_chemical_formula_sum   'Ta2 Cu2 Ru2'
_cell_volume   86.2
_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  0.18  0.5  0.99  1.0
  Cu  Cu1  2  0.39  0.5  0.2  1.0
  Ru  Ru2  2  0.23  0.5  0.04  1.0

Ta Cu Ru