data_BeTcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   2.68
_cell_angle_alpha   99.38
_cell_angle_beta   99.38
_cell_angle_gamma   117.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcMo2
_chemical_formula_sum   'Be1 Tc1 Mo2'
_cell_volume   56.73
_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  Tc3  1  0.61  0.0  0.0  1.0
  Mo  Mo1  1  0.88  0.14  0.27  1.0
  Mo  Mo2  1  0.88  0.86  0.27  1.0

data_BeTcMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   117.31
_cell_angle_beta   99.38
_cell_angle_gamma   99.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcMo2
_chemical_formula_sum   'Be1 Tc1 Mo2'
_cell_volume   56.73
_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  -0.0  0.61  0.0  1.0
  Mo  Mo2  1  0.27  0.88  0.86  1.0
  Mo  Mo3  1  0.27  0.88  0.14  1.0

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