data_BaTa2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.69
_cell_angle_alpha   99.49
_cell_angle_beta   99.49
_cell_angle_gamma   38.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Be
_chemical_formula_sum   'Ba1 Ta2 Be1'
_cell_volume   98.49
_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
  Ba  Ba0  1  0.8  0.0  0.18  1.0
  Ta  Ta2  1  0.08  0.0  0.48  1.0
  Ta  Ta3  1  0.58  0.0  0.85  1.0
  Be  Be1  1  0.52  0.0  0.97  1.0

data_BaTa2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.91
_cell_length_c   6.69
_cell_angle_alpha   99.49
_cell_angle_beta   90.0
_cell_angle_gamma   109.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Be
_chemical_formula_sum   'Ba1 Ta2 Be1'
_cell_volume   98.49
_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
  Ba  Ba0  1  0.0  0.2  0.82  1.0
  Ta  Ta1  1  0.0  0.42  0.15  1.0
  Ta  Ta2  1  0.0  0.92  0.52  1.0
  Be  Be3  1  0.0  0.48  0.03  1.0

Ba Ta Ta Be