data_BeGa2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Pt
_chemical_formula_sum   'Be1 Ga2 Pt1'
_cell_volume   59.15
_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  0.6  0.0  0.86  1.0
  Ga  Ga2  1  0.6  0.0  0.01  1.0
  Pt  Pt3  1  0.0  0.0  0.93  1.0

data_BeGa2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Pt
_chemical_formula_sum   'Be1 Ga2 Pt1'
_cell_volume   59.15
_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  0.6  0.0  0.01  1.0
  Ga  Ga2  1  0.6  0.0  0.86  1.0
  Pt  Pt3  1  0.0  0.0  0.93  1.0

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