data_Be2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   154.42
_cell_angle_beta   148.47
_cell_angle_gamma   41.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PtCl
_chemical_formula_sum   'Be2 Pt1 Cl1'
_cell_volume   60.19
_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  0.24  1.0
  Be  Be1  1  0.43  0.0  0.14  1.0
  Pt  Pt3  1  0.0  0.75  0.41  1.0
  Cl  Cl2  1  0.0  0.0  0.34  1.0

data_Be2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.5
_cell_length_c   6.44
_cell_angle_alpha   105.77
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PtCl
_chemical_formula_sum   'Be2 Pt1 Cl1'
_cell_volume   60.19
_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  0.14  0.71  1.0
  Be  Be1  1  0.0  0.24  0.24  1.0
  Pt  Pt2  1  0.25  0.66  0.66  1.0
  Cl  Cl3  1  0.0  0.34  0.34  1.0

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