data_BeGaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaTc2
_chemical_formula_sum   'Be1 Ga1 Tc2'
_cell_volume   52.75
_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
  Ga  Ga1  1  0.65  0.0  0.0  1.0
  Tc  Tc2  1  0.33  0.44  0.59  1.0
  Tc  Tc3  1  0.33  0.56  0.59  1.0

data_BeGaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.1
_cell_length_c   4.1
_cell_angle_alpha   99.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaTc2
_chemical_formula_sum   'Be1 Ga1 Tc2'
_cell_volume   52.75
_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
  Ga  Ga1  1  -0.0  0.65  0.0  1.0
  Tc  Tc2  1  0.59  0.33  0.44  1.0
  Tc  Tc3  1  0.59  0.33  0.56  1.0

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