data_ScTa2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   132.9
_cell_angle_beta   132.9
_cell_angle_gamma   68.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Be
_chemical_formula_sum   'Sc1 Ta2 Be1'
_cell_volume   68.15
_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
  Sc  Sc1  1  0.02  0.0  0.09  1.0
  Ta  Ta2  1  0.0  0.0  0.17  1.0
  Ta  Ta3  1  0.0  0.02  0.09  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_ScTa2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.06
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Be
_chemical_formula_sum   'Sc1 Ta2 Be1'
_cell_volume   68.15
_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
  Sc  Sc0  1  0.09  0.07  0.07  1.0
  Ta  Ta1  1  0.07  0.09  0.07  1.0
  Ta  Ta2  1  0.17  0.17  0.17  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Sc Ta Ta Be