data_BeNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   145.24
_cell_angle_beta   122.45
_cell_angle_gamma   69.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Cl
_chemical_formula_sum   'Be1 Ni2 Cl1'
_cell_volume   47.64
_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  Ni2  1  0.39  0.0  0.78  1.0
  Ni  Ni3  1  0.0  0.24  0.05  1.0
  Cl  Cl1  1  0.0  0.0  0.83  1.0

data_BeNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.48
_cell_length_c   4.65
_cell_angle_alpha   118.77
_cell_angle_beta   107.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Cl
_chemical_formula_sum   'Be1 Ni2 Cl1'
_cell_volume   47.64
_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  Ni1  1  0.0  0.78  0.39  1.0
  Ni  Ni2  1  0.76  0.81  0.81  1.0
  Cl  Cl3  1  0.0  0.83  0.83  1.0

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