data_BeNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.99
_cell_angle_alpha   95.22
_cell_angle_beta   95.22
_cell_angle_gamma   49.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiCl2
_chemical_formula_sum   'Be1 Ni1 Cl2'
_cell_volume   67.37
_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  0.74  0.0  0.57  1.0
  Ni  Ni3  1  0.7  0.0  0.83  1.0
  Cl  Cl1  1  0.48  0.0  0.75  1.0
  Cl  Cl2  1  0.74  0.0  0.8  1.0

data_BeNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.87
_cell_length_c   5.99
_cell_angle_alpha   95.22
_cell_angle_beta   90.0
_cell_angle_gamma   114.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiCl2
_chemical_formula_sum   'Be1 Ni1 Cl2'
_cell_volume   67.37
_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  0.26  0.43  1.0
  Ni  Ni1  1  0.0  0.3  0.17  1.0
  Cl  Cl2  1  0.0  0.26  0.2  1.0
  Cl  Cl3  1  0.0  0.52  0.25  1.0

Be Ni Cl Cl