data_BeGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   143.2
_cell_angle_beta   130.1
_cell_angle_gamma   63.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaCu2
_chemical_formula_sum   'Be1 Ga1 Cu2'
_cell_volume   46.99
_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  0.92  1.0
  Ga  Ga3  1  0.48  0.0  0.93  1.0
  Cu  Cu1  1  0.48  0.0  0.11  1.0
  Cu  Cu2  1  0.0  0.0  0.02  1.0

data_BeGaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.97
_cell_length_c   4.7
_cell_angle_alpha   114.95
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaCu2
_chemical_formula_sum   'Be1 Ga1 Cu2'
_cell_volume   46.99
_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  0.08  0.08  0.08  1.0
  Ga  Ga1  1  0.55  0.07  0.55  1.0
  Cu  Cu2  1  0.38  0.89  0.38  1.0
  Cu  Cu3  1  0.98  0.98  0.98  1.0

Be Ga Cu Cu