data_Ta2BeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   21.45
_cell_angle_beta   21.45
_cell_angle_gamma   21.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeSe
_chemical_formula_sum   'Ta2 Be1 Se1'
_cell_volume   70.28
_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
  Ta  Ta2  1  0.0  0.0  0.13  1.0
  Ta  Ta3  1  0.0  0.0  0.07  1.0
  Be  Be0  1  0.0  0.0  0.41  1.0
  Se  Se1  1  0.0  0.0  0.45  1.0

data_Ta2BeSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   102.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2BeSe
_chemical_formula_sum   'Ta4 Be2 Se2'
_cell_volume   140.55
_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
  Ta  Ta0  2  0.0  0.0  0.87  1.0
  Ta  Ta1  2  0.0  0.0  0.93  1.0
  Be  Be2  2  0.0  0.0  0.59  1.0
  Se  Se3  2  0.0  0.0  0.55  1.0

Ta Ta Be Se