data_BeGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   31.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaPt2
_chemical_formula_sum   'Be1 Ga1 Pt2'
_cell_volume   54.97
_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  0.54  1.0
  Ga  Ga1  1  0.98  0.0  0.22  1.0
  Pt  Pt2  1  0.0  0.0  0.03  1.0
  Pt  Pt3  1  0.98  0.0  0.95  1.0

data_BeGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.96
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaPt2
_chemical_formula_sum   'Be1 Ga1 Pt2'
_cell_volume   54.97
_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  0.46  0.0  0.46  1.0
  Ga  Ga1  1  0.78  0.98  0.78  1.0
  Pt  Pt2  1  0.05  0.98  0.05  1.0
  Pt  Pt3  1  0.97  0.0  0.97  1.0

Be Ga Pt Pt
Be Ga Pt Pt 0 1 - o o 1 2 + o o 2 3 - o - 