data_[Ca2Co2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2374]
_cell_length_b [3.6141]
_cell_length_c [4.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaCoCl2]
_chemical_formula_sum '[Ca2 Co2 Cl4]'
_cell_volume [180.7704]
_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
[
  Ca  Ca0  2  0.2541  0.5000  0.8298  1
  Co  Co1  2  0.4398  0.0000  0.5895  1
  Cl  Cl2  2  0.0318  0.0000  0.7902  1
  Cl  Cl3  2  0.2744  0.0000  0.2906  1
]