[CIF]
data_GeSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90116633
_cell_length_b   4.90116633
_cell_length_c   4.90116633
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSe2Cl
_chemical_formula_sum   'Ge1 Se2 Cl1'
_cell_volume   83.24982458
_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
  Cl  Cl0  1  0.00000000  0.00000000  0.00000000  1
  Ge  Ge1  1  1.73282398  1.73282398  1.73282398  1
  Se  Se2  1  3.46564795  3.46564795  3.46564795  1
  Se  Se3  1  5.19847193  5.19847193  5.19847193  1
[/CIF]
