data_CaZnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.16
_cell_length_c   3.57
_cell_angle_alpha   76.54
_cell_angle_beta   74.66
_cell_angle_gamma   28.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnCl
_chemical_formula_sum   'Ca1 Zn1 Cl1'
_cell_volume   85.73
_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
  Ca  Ca0  1  0.44  0.61  0.28  1.0
  Zn  Zn2  1  0.44  0.61  0.46  1.0
  Cl  Cl1  1  0.44  0.61  0.16  1.0

data_CaZnCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   13.45
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   133.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaZnCl
_chemical_formula_sum   'Ca2 Zn2 Cl2'
_cell_volume   171.47
_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
  Ca  Ca0  2  0.28  0.0  0.72  1.0
  Zn  Zn1  2  0.46  0.0  0.9  1.0
  Cl  Cl2  2  0.16  0.0  0.6  1.0

Ca Zn Cl
Ca Zn Cl 0 2 o o o 0 1 o o o 