data_[Cu1Si1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3460]
_cell_length_b [3.4322]
_cell_length_c [5.8571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CuSiCl2]
_chemical_formula_sum '[Cu1 Si1 Cl2]'
_cell_volume [103.3653]
_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
[
  Si  Si0  1  0.5585  0.5000  0.3652  1
  Cu  Cu1  1  0.8029  0.0000  0.2807  1
  Cl  Cl2  1  0.1589  0.0000  0.1620  1
  Cl  Cl3  1  0.4797  0.5000  0.6922  1
]