data_BeNiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   5.69
_cell_length_c   2.96
_cell_angle_alpha   82.66
_cell_angle_beta   68.39
_cell_angle_gamma   28.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiCl
_chemical_formula_sum   'Be1 Ni1 Cl1'
_cell_volume   41.48
_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  0.47  0.57  0.04  1.0
  Ni  Ni2  1  0.47  0.57  0.94  1.0
  Cl  Cl1  1  0.47  0.57  0.01  1.0

data_BeNiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.93
_cell_length_b   10.99
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   119.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNiCl
_chemical_formula_sum   'Be2 Ni2 Cl2'
_cell_volume   82.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.5  0.49  1.0
  Ni  Ni1  2  0.07  0.5  0.59  1.0
  Cl  Cl2  2  0.07  0.5  0.52  1.0

Be Ni Cl