data_Be2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   3.88
_cell_angle_alpha   122.48
_cell_angle_beta   122.48
_cell_angle_gamma   85.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuTc
_chemical_formula_sum   'Be2 Cu1 Tc1'
_cell_volume   39.77
_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  0.87  0.42  1.0
  Be  Be1  1  0.87  0.0  0.42  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.85  1.0

data_Be2CuTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   132.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CuTc
_chemical_formula_sum   'Be4 Cu2 Tc2'
_cell_volume   79.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.01  0.43  0.45  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.15  0.0  0.15  1.0

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