data_BeCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   7.28
_cell_angle_alpha   114.99
_cell_angle_beta   114.99
_cell_angle_gamma   25.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCl3
_chemical_formula_sum   'Be1 Cl3'
_cell_volume   118.07
_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  0.0  1.0
  Cl  Cl1  1  0.7  0.0  0.28  1.0
  Cl  Cl2  1  0.62  0.0  0.63  1.0
  Cl  Cl3  1  0.77  0.0  0.94  1.0

data_BeCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   6.44
_cell_length_c   7.28
_cell_angle_alpha   114.99
_cell_angle_beta   90.0
_cell_angle_gamma   102.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCl3
_chemical_formula_sum   'Be1 Cl3'
_cell_volume   118.07
_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  0.0  1.0
  Cl  Cl1  1  0.0  0.23  0.06  1.0
  Cl  Cl2  1  0.0  0.3  0.72  1.0
  Cl  Cl3  1  0.0  0.38  0.37  1.0

Be Cl Cl Cl