data_Ta6Be15Cu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Be15Cu8
_chemical_formula_sum   'Ta6 Be15 Cu8'
_cell_volume   316.12
_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  0.41  0.41  0.48  1.0
  Ta  Ta1  1  0.33  0.41  0.41  1.0
  Ta  Ta2  1  0.48  0.41  0.41  1.0
  Ta  Ta3  1  0.41  0.48  0.41  1.0
  Ta  Ta4  1  0.41  0.33  0.41  1.0
  Ta  Ta5  1  0.41  0.41  0.33  1.0
  Be  Be6  1  0.0  0.0  0.0  1.0
  Be  Be7  1  0.7  0.7  0.0  1.0
  Be  Be8  1  0.0  0.7  0.7  1.0
  Be  Be9  1  0.41  0.7  0.7  1.0
  Be  Be10  1  0.7  0.7  0.41  1.0
  Be  Be11  1  0.7  0.41  0.7  1.0
  Be  Be12  1  0.7  0.0  0.7  1.0
  Be  Be13  1  0.87  0.54  0.87  1.0
  Be  Be14  1  0.94  0.94  0.28  1.0
  Be  Be15  1  0.28  0.94  0.94  1.0
  Be  Be16  1  0.28  0.28  0.28  1.0
  Be  Be17  1  0.54  0.87  0.87  1.0
  Be  Be18  1  0.54  0.54  0.54  1.0
  Be  Be19  1  0.87  0.87  0.54  1.0
  Be  Be20  1  0.94  0.28  0.94  1.0
  Cu  Cu21  1  0.08  0.33  0.08  1.0
  Cu  Cu22  1  0.74  0.74  0.48  1.0
  Cu  Cu23  1  0.48  0.74  0.74  1.0
  Cu  Cu24  1  0.48  0.48  0.48  1.0
  Cu  Cu25  1  0.33  0.08  0.08  1.0
  Cu  Cu26  1  0.33  0.33  0.33  1.0
  Cu  Cu27  1  0.08  0.08  0.33  1.0
  Cu  Cu28  1  0.74  0.48  0.74  1.0

data_Ta6Be15Cu8
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   18.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta6Be15Cu8
_chemical_formula_sum   'Ta18 Be45 Cu24'
_cell_volume   948.35
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.03  0.05  0.57  1.0
  Ta  Ta1  9  0.05  0.03  0.62  1.0
  Be  Be2  9  0.1  0.9  0.2  1.0
  Be  Be3  9  0.11  0.56  0.61  1.0
  Be  Be4  9  0.2  0.1  0.4  1.0
  Be  Be5  9  0.22  0.44  0.91  1.0
  Be  Be6  3  0.0  0.0  -0.0  1.0
  Be  Be7  3  0.0  0.0  0.46  1.0
  Be  Be8  3  0.0  0.0  0.72  1.0
  Cu  Cu9  9  0.08  0.17  0.84  1.0
  Cu  Cu10  9  0.17  0.08  0.35  1.0
  Cu  Cu11  3  0.0  0.0  0.52  1.0
  Cu  Cu12  3  0.0  0.0  0.67  1.0

Ta Ta Ta Ta Ta Ta Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Cu Cu Cu Cu Cu Cu Cu Cu