data_BeGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   143.58
_cell_angle_beta   123.45
_cell_angle_gamma   69.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Cu
_chemical_formula_sum   'Be1 Ga2 Cu1'
_cell_volume   55.64
_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
  Ga  Ga2  1  0.0  0.3  0.06  1.0
  Ga  Ga3  1  0.52  0.0  0.94  1.0
  Cu  Cu1  1  0.0  0.0  0.99  1.0

data_BeGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.6
_cell_length_c   4.85
_cell_angle_alpha   118.28
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Cu
_chemical_formula_sum   'Be1 Ga2 Cu1'
_cell_volume   55.64
_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
  Ga  Ga1  1  0.58  0.06  0.58  1.0
  Ga  Ga2  1  0.94  0.24  0.24  1.0
  Cu  Cu3  1  0.01  0.01  0.01  1.0

Be Ga Ga Cu