data_Be2CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSb
_chemical_formula_sum   'Be2 Cu1 Sb1'
_cell_volume   56.36
_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  1.0  0.0  0.42  1.0
  Be  Be1  1  1.0  0.0  0.09  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.26  1.0

data_Be2CuSb
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.0
_cell_length_b   4.33
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Be2CuSb
_chemical_formula_sum   'Be4 Cu2 Sb2'
_cell_volume   112.71
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.58  1.0
  Be  Be1  2  0.0  0.0  0.91  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.74  1.0

Be Be Cu Sb
Be Be Cu Sb 0 3 + o o 1 2 + o o 1 3 + o o 