data_BePtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePtCl2
_chemical_formula_sum   'Be1 Pt1 Cl2'
_cell_volume   76.67
_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  0.13  1.0
  Pt  Pt3  1  0.47  0.0  0.02  1.0
  Cl  Cl1  1  0.47  0.0  0.76  1.0
  Cl  Cl2  1  0.0  0.0  0.94  1.0

data_BePtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.38
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePtCl2
_chemical_formula_sum   'Be1 Pt1 Cl2'
_cell_volume   76.67
_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  0.13  1.0
  Pt  Pt1  1  0.0  0.47  0.02  1.0
  Cl  Cl2  1  0.0  0.0  0.94  1.0
  Cl  Cl3  1  0.0  0.47  0.76  1.0

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