data_BaNiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   148.1
_cell_angle_beta   148.1
_cell_angle_gamma   45.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiCl
_chemical_formula_sum   'Ba1 Ni1 Cl1'
_cell_volume   79.72
_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
  Ba  Ba0  1  0.0  0.0  0.11  1.0
  Ni  Ni2  1  0.0  0.0  0.06  1.0
  Cl  Cl1  1  0.0  0.0  0.12  1.0

data_BaNiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   112.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNiCl
_chemical_formula_sum   'Ba2 Ni2 Cl2'
_cell_volume   159.44
_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
  Ba  Ba0  2  0.0  0.0  0.89  1.0
  Ni  Ni1  2  0.0  0.0  0.94  1.0
  Cl  Cl2  2  0.0  0.0  0.88  1.0

Ba Ni Cl