data_AlCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   132.97
_cell_angle_beta   132.97
_cell_angle_gamma   68.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Tc
_chemical_formula_sum   'Al1 Co2 Tc1'
_cell_volume   48.9
_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  0.0  1.0
  Co  Co1  1  0.81  0.0  0.87  1.0
  Co  Co2  1  0.0  0.0  0.74  1.0
  Tc  Tc3  1  0.0  0.81  0.87  1.0

data_AlCo2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   4.53
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Tc
_chemical_formula_sum   'Al1 Co2 Tc1'
_cell_volume   48.9
_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  0.0  1.0
  Co  Co1  1  0.13  0.0  0.94  1.0
  Co  Co2  1  0.26  0.0  0.26  1.0
  Tc  Tc3  1  0.94  0.81  0.94  1.0

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