data_[Sr2Ni4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9119]
_cell_length_b [3.9848]
_cell_length_c [6.7820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrNi2Cl]
_chemical_formula_sum '[Sr2 Ni4 Cl2]'
_cell_volume [186.7613]
_cell_formula_units_Z [2]
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  2  0.0396  0.5000  0.5278  1
  Ni  Ni1  2  0.2127  0.0000  0.8454  1
  Ni  Ni2  2  0.3800  0.5000  0.8599  1
  Cl  Cl3  2  0.3678  0.5000  0.2669  1
]