data_TaBeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeRu
_chemical_formula_sum   'Ta1 Be1 Ru1'
_cell_volume   42.21
_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  0.05  0.18  0.83  1.0
  Be  Be0  1  0.0  0.0  0.4  1.0
  Ru  Ru1  1  0.0  0.37  0.67  1.0

data_TaBeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeRu
_chemical_formula_sum   'Ta1 Be1 Ru1'
_cell_volume   42.21
_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  0.83  0.05  0.18  1.0
  Be  Be1  1  0.4  0.0  0.0  1.0
  Ru  Ru2  1  0.67  0.0  0.37  1.0

Ta Be Ru