data_TaBe2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.92
_cell_angle_alpha   115.21
_cell_angle_beta   115.21
_cell_angle_gamma   42.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Fe
_chemical_formula_sum   'Ta1 Be2 Fe1'
_cell_volume   45.14
_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  Ta3  1  0.63  0.0  0.87  1.0
  Be  Be0  1  0.26  0.0  0.36  1.0
  Be  Be1  1  0.86  0.0  0.73  1.0
  Fe  Fe2  1  0.23  0.0  0.76  1.0

data_TaBe2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.92
_cell_length_c   4.39
_cell_angle_alpha   115.21
_cell_angle_beta   111.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Fe
_chemical_formula_sum   'Ta1 Be2 Fe1'
_cell_volume   45.14
_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  Ta0  1  0.0  0.87  0.63  1.0
  Be  Be1  1  0.0  0.36  0.26  1.0
  Be  Be2  1  0.0  0.73  0.86  1.0
  Fe  Fe3  1  0.0  0.76  0.23  1.0

Ta Be Be Fe