data_BeTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   151.04
_cell_angle_beta   141.6
_cell_angle_gamma   48.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cu
_chemical_formula_sum   'Be1 Tl2 Cu1'
_cell_volume   80.86
_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
  Be  Be0  1  0.0  0.0  0.29  1.0
  Tl  Tl2  1  0.0  0.0  0.06  1.0
  Tl  Tl3  1  0.0  0.13  0.67  1.0
  Cu  Cu1  1  0.62  0.0  0.74  1.0

data_BeTl2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.25
_cell_length_c   6.46
_cell_angle_alpha   109.2
_cell_angle_beta   104.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cu
_chemical_formula_sum   'Be1 Tl2 Cu1'
_cell_volume   80.86
_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
  Be  Be0  1  0.0  0.29  0.29  1.0
  Tl  Tl1  1  0.0  0.06  0.06  1.0
  Tl  Tl2  1  0.87  0.55  0.55  1.0
  Cu  Cu3  1  0.0  0.74  0.13  1.0

Be Tl Tl Cu
Be Tl Tl Cu 0 2 o o o 0 1 o o o 1 3 - o - 