data_BeTc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.9
_cell_angle_alpha   102.12
_cell_angle_beta   102.12
_cell_angle_gamma   115.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Sn
_chemical_formula_sum   'Be1 Tc2 Sn1'
_cell_volume   61.14
_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
  Tc  Tc2  1  0.78  0.88  0.33  1.0
  Tc  Tc3  1  0.78  0.12  0.33  1.0
  Sn  Sn1  1  0.7  0.0  0.0  1.0

data_BeTc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.02
_cell_length_c   5.03
_cell_angle_alpha   116.99
_cell_angle_beta   102.12
_cell_angle_gamma   99.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Sn
_chemical_formula_sum   'Be1 Tc2 Sn1'
_cell_volume   61.14
_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
  Tc  Tc1  1  0.21  0.88  0.66  1.0
  Tc  Tc2  1  0.46  0.12  0.9  1.0
  Sn  Sn3  1  0.0  0.0  0.7  1.0

Be Tc Tc Sn
Be Tc Tc Sn 0 1 - - - 0 1 - - o 0 3 - o o 0 2 - o o 1 3 o + o 1 2 o + o 2 3 o o o 