data_BeAl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.1
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Tc
_chemical_formula_sum   'Be1 Al2 Tc1'
_cell_volume   53.57
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.77  0.05  0.69  1.0
  Al  Al1  1  0.04  0.05  0.19  1.0
  Tc  Tc3  1  0.91  0.0  0.44  1.0

data_BeAl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.1
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Tc
_chemical_formula_sum   'Be1 Al2 Tc1'
_cell_volume   53.57
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.04  0.05  0.19  1.0
  Al  Al2  1  0.77  0.05  0.69  1.0
  Tc  Tc3  1  0.91  0.0  0.44  1.0

Be Al Al Tc
Be Al Al Tc 0 2 o o o 0 1 - o - 1 3 o o o 2 3 - o o 