data_BeTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.24
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Se
_chemical_formula_sum   'Be1 Tc2 Se1'
_cell_volume   55.18
_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  0.82  0.0  0.07  1.0
  Tc  Tc2  1  0.38  0.0  0.24  1.0
  Tc  Tc3  1  0.86  0.12  0.3  1.0
  Se  Se1  1  0.37  0.12  0.33  1.0

data_BeTc2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.24
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Se
_chemical_formula_sum   'Be1 Tc2 Se1'
_cell_volume   55.18
_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  0.82  0.0  0.07  1.0
  Tc  Tc1  1  0.38  0.0  0.24  1.0
  Tc  Tc2  1  0.86  0.12  0.3  1.0
  Se  Se3  1  0.37  0.12  0.33  1.0

Be Tc Tc Se
Be Tc Tc Se 0 2 o o o 1 3 o o o 