data_Be2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.07
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSn
_chemical_formula_sum   'Be2 Cu1 Sn1'
_cell_volume   58.08
_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  0.27  0.11  0.0  1.0
  Be  Be1  1  0.27  0.89  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.53  0.0  0.0  1.0

data_Be2CuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.53
_cell_length_c   4.93
_cell_angle_alpha   114.29
_cell_angle_beta   103.95
_cell_angle_gamma   98.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSn
_chemical_formula_sum   'Be2 Cu1 Sn1'
_cell_volume   58.08
_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  0.11  0.11  0.38  1.0
  Be  Be1  1  0.89  0.89  0.15  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.53  1.0

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