data_TcAsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   143.0
_cell_angle_beta   128.64
_cell_angle_gamma   64.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsRu
_chemical_formula_sum   'Tc1 As1 Ru1'
_cell_volume   44.1
_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
  Tc  Tc2  1  0.0  0.0  0.5  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.2  1.0

data_TcAsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.96
_cell_length_c   4.56
_cell_angle_alpha   115.68
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsRu
_chemical_formula_sum   'Tc1 As1 Ru1'
_cell_volume   44.1
_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
  Tc  Tc0  1  0.5  0.5  0.5  1.0
  As  As1  1  1.0  1.0  1.0  1.0
  Ru  Ru2  1  0.8  0.8  0.8  1.0

Tc As Ru