data_Be2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   2.62
_cell_angle_alpha   96.9
_cell_angle_beta   96.9
_cell_angle_gamma   108.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcMo
_chemical_formula_sum   'Be2 Tc1 Mo1'
_cell_volume   48.4
_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  0.04  0.81  0.28  1.0
  Be  Be1  1  0.04  0.19  0.28  1.0
  Tc  Tc3  1  0.61  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Be2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   108.42
_cell_angle_beta   96.9
_cell_angle_gamma   96.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcMo
_chemical_formula_sum   'Be2 Tc1 Mo1'
_cell_volume   48.4
_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  0.28  0.04  0.19  1.0
  Be  Be1  1  0.28  0.04  0.81  1.0
  Tc  Tc2  1  0.0  0.61  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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