data_BeCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.6
_cell_angle_alpha   99.48
_cell_angle_beta   99.48
_cell_angle_gamma   45.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Sb
_chemical_formula_sum   'Be1 Cu2 Sb1'
_cell_volume   59.49
_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
  Cu  Cu1  1  0.38  0.0  0.65  1.0
  Cu  Cu2  1  0.72  0.0  0.88  1.0
  Sb  Sb3  1  0.55  0.0  0.26  1.0

data_BeCu2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.29
_cell_length_c   4.6
_cell_angle_alpha   99.48
_cell_angle_beta   90.0
_cell_angle_gamma   112.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Sb
_chemical_formula_sum   'Be1 Cu2 Sb1'
_cell_volume   59.49
_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
  Cu  Cu1  1  0.0  0.28  0.12  1.0
  Cu  Cu2  1  0.0  0.62  0.35  1.0
  Sb  Sb3  1  0.0  0.45  0.74  1.0

Be Cu Cu Sb