data_BeTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   135.2
_cell_angle_beta   135.2
_cell_angle_gamma   65.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcSe2
_chemical_formula_sum   'Be1 Tc1 Se2'
_cell_volume   61.41
_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  0.0  0.91  0.11  1.0
  Se  Se1  1  0.91  0.0  0.11  1.0
  Se  Se2  1  0.0  0.0  0.22  1.0

data_BeTcSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.01
_cell_angle_alpha   112.4
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcSe2
_chemical_formula_sum   'Be1 Tc1 Se2'
_cell_volume   61.41
_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  0.8  0.91  0.8  1.0
  Se  Se2  1  0.78  0.0  0.78  1.0
  Se  Se3  1  0.89  0.0  0.8  1.0

Be Tc Se Se