data_BeBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBiPt2
_chemical_formula_sum   'Be1 Bi1 Pt2'
_cell_volume   70.7
_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  0.42  1.0
  Bi  Bi1  1  0.67  0.67  0.9  1.0
  Pt  Pt2  1  0.0  0.0  0.16  1.0
  Pt  Pt3  1  0.67  0.67  0.04  1.0

data_BeBiPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeBiPt2
_chemical_formula_sum   'Be2 Bi2 Pt4'
_cell_volume   141.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.42  1.0
  Bi  Bi1  2  0.17  0.5  0.9  1.0
  Pt  Pt2  2  0.0  0.0  0.16  1.0
  Pt  Pt3  2  0.17  0.5  0.04  1.0

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