data_Be2BiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BiPt
_chemical_formula_sum   'Be2 Bi1 Pt1'
_cell_volume   65.45
_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  0.15  0.0  0.09  1.0
  Be  Be1  1  0.15  0.0  0.81  1.0
  Bi  Bi2  1  0.0  0.0  0.45  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_Be2BiPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Be2BiPt
_chemical_formula_sum   'Be2 Bi1 Pt1'
_cell_volume   65.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.15  0.0  0.09  1.0
  Be  Be1  1  0.15  0.0  0.81  1.0
  Bi  Bi2  1  0.0  0.0  0.45  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Be Be Bi Pt
Be Be Bi Pt 0 3 o o o 0 2 o o o 1 3 o o + 1 2 o o o 2 2 o + o 2 2 + o o 2 3 o o o 