data_Be2TcW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcW
_chemical_formula_sum   'Be2 Tc1 W1'
_cell_volume   48.54
_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  0.66  0.0  0.38  1.0
  Be  Be1  1  0.66  0.0  0.72  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.55  1.0

data_Be2TcW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   2.65
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcW
_chemical_formula_sum   'Be2 Tc1 W1'
_cell_volume   48.54
_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  0.66  0.0  0.38  1.0
  Be  Be1  1  0.66  0.0  0.72  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.55  1.0

Be Be Tc W
Be Be Tc W 0 3 + o o 0 2 + o o 1 3 + o o 1 2 + o + 1 2 o o + 2 2 o + o 2 2 + o o 