data_BeCu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.74
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Tc
_chemical_formula_sum   'Be1 Cu2 Tc1'
_cell_volume   45.8
_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  0.93  1.0
  Cu  Cu1  1  0.31  0.37  0.2  1.0
  Cu  Cu2  1  0.0  0.0  0.49  1.0
  Tc  Tc3  1  0.31  0.37  0.35  1.0

data_BeCu2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   2.74
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Tc
_chemical_formula_sum   'Be1 Cu2 Tc1'
_cell_volume   45.8
_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  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.49  1.0
  Cu  Cu2  1  0.31  0.37  0.2  1.0
  Tc  Tc3  1  0.31  0.37  0.35  1.0

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