data_[Sr1Ca2Zn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3211]
_cell_length_b [8.2851]
_cell_length_c [6.4607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCa2ZnCl8]
_chemical_formula_sum '[Sr1 Ca2 Zn1 Cl8]'
_cell_volume [338.3189]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2358  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2071  0.2162  0.1737  1.0
  Cl  Cl4  2  0.2726  0.0000  0.6942  1.0
  Cl  Cl5  2  0.2945  0.5000  0.6651  1.0
]