data_AlCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.77
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoTc2
_chemical_formula_sum   'Al1 Co1 Tc2'
_cell_volume   54.21
_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
  Al  Al0  1  0.0  0.0  0.74  1.0
  Co  Co1  1  0.37  0.89  0.81  1.0
  Tc  Tc2  1  0.0  0.0  0.05  1.0
  Tc  Tc3  1  0.37  0.89  0.28  1.0

data_AlCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.77
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoTc2
_chemical_formula_sum   'Al1 Co1 Tc2'
_cell_volume   54.21
_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
  Al  Al0  1  0.0  0.0  0.74  1.0
  Co  Co1  1  0.37  0.89  0.81  1.0
  Tc  Tc2  1  0.0  0.0  0.05  1.0
  Tc  Tc3  1  0.37  0.89  0.28  1.0

Al Co Tc Tc
Al Co Tc Tc 0 1 o - o 0 2 o o + 1 2 o + + 2 3 o - o 