data_BePCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePCl2
_chemical_formula_sum   'Be1 P1 Cl2'
_cell_volume   80.32
_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  0.19  1.0
  P  P3  1  0.56  0.0  0.77  1.0
  Cl  Cl1  1  0.56  0.0  0.87  1.0
  Cl  Cl2  1  0.0  0.0  0.56  1.0

data_BePCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.49
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePCl2
_chemical_formula_sum   'Be1 P1 Cl2'
_cell_volume   80.32
_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  0.19  1.0
  P  P1  1  0.0  0.56  0.77  1.0
  Cl  Cl2  1  0.0  0.0  0.56  1.0
  Cl  Cl3  1  0.0  0.56  0.87  1.0

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