data_BaBeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.78
_cell_angle_alpha   95.14
_cell_angle_beta   95.14
_cell_angle_gamma   55.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeCu2
_chemical_formula_sum   'Ba1 Be1 Cu2'
_cell_volume   85.25
_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
  Ba  Ba0  1  0.36  0.0  0.86  1.0
  Be  Be1  1  0.1  0.0  0.11  1.0
  Cu  Cu2  1  0.05  0.0  0.08  1.0
  Cu  Cu3  1  0.83  0.0  0.58  1.0

data_BaBeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.23
_cell_length_c   5.78
_cell_angle_alpha   95.14
_cell_angle_beta   90.0
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeCu2
_chemical_formula_sum   'Ba1 Be1 Cu2'
_cell_volume   85.25
_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
  Ba  Ba0  1  0.0  0.64  0.14  1.0
  Be  Be1  1  0.0  0.9  0.89  1.0
  Cu  Cu2  1  0.0  0.17  0.42  1.0
  Cu  Cu3  1  0.0  0.95  0.92  1.0

Ba Be Cu Cu