data_BeNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.37
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiCl2
_chemical_formula_sum   'Be1 Ni1 Cl2'
_cell_volume   63.66
_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
  Ni  Ni3  1  0.58  0.0  0.99  1.0
  Cl  Cl1  1  0.0  0.68  0.99  1.0
  Cl  Cl2  1  0.58  0.68  0.0  1.0

data_BeNiCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   5.99
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeNiCl2
_chemical_formula_sum   'Be1 Ni1 Cl2'
_cell_volume   63.66
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ni  Ni1  1  0.58  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.68  1.0
  Cl  Cl3  1  0.58  0.0  0.68  1.0

Be Ni Cl Cl