data_BeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   155.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2
_chemical_formula_sum   'Be2 Tc4'
_cell_volume   77.45
_cell_formula_units_Z   2
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  0.41  0.12  0.05  1.0
  Be  Be1  1  0.41  0.88  0.14  1.0
  Tc  Tc2  1  0.41  0.71  0.05  1.0
  Tc  Tc3  1  0.41  0.29  0.14  1.0
  Tc  Tc4  1  0.41  0.34  0.05  1.0
  Tc  Tc5  1  0.41  0.66  0.14  1.0

data_BeTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   4.18
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   102.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeTc2
_chemical_formula_sum   'Be2 Tc4'
_cell_volume   77.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.55  0.62  1.0
  Tc  Tc1  2  0.29  0.45  0.79  1.0
  Tc  Tc2  2  0.34  0.55  0.84  1.0

Be Be Tc Tc Tc Tc