data_Be2NiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   148.37
_cell_angle_beta   148.37
_cell_angle_gamma   45.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiCl
_chemical_formula_sum   'Be2 Ni1 Cl1'
_cell_volume   50.04
_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
  Be  Be1  1  0.55  0.0  0.62  1.0
  Ni  Ni3  1  0.0  0.55  0.62  1.0
  Cl  Cl2  1  0.0  0.0  0.23  1.0

data_Be2NiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   5.67
_cell_angle_alpha   105.82
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiCl
_chemical_formula_sum   'Be2 Ni1 Cl1'
_cell_volume   50.04
_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
  Be  Be1  1  0.62  0.07  0.07  1.0
  Ni  Ni2  1  0.07  0.62  0.07  1.0
  Cl  Cl3  1  0.23  0.23  0.23  1.0

Be Be Ni Cl