data_BeTl2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cu
_chemical_formula_sum   'Be1 Tl2 Cu1'
_cell_volume   79.61
_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  0.0  1.0
  Tl  Tl2  1  0.37  0.0  0.77  1.0
  Tl  Tl3  1  0.0  0.37  0.77  1.0
  Cu  Cu1  1  0.37  0.37  0.0  1.0

data_BeTl2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTl2Cu
_chemical_formula_sum   'Be2 Tl4 Cu2'
_cell_volume   159.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.19  0.19  0.77  1.0
  Cu  Cu2  2  0.37  0.0  0.0  1.0

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