data_[Cu2H2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.0296]
_cell_length_b [4.4208]
_cell_length_c [5.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CuHS]
_chemical_formula_sum '[Cu2 H2 S2]'
_cell_volume [92.1054]
_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
[
  Cu  Cu0  2  0.1903  0.9224  0.0904  1.0
  H  H1  2  0.2368  0.7541  0.5600  1.0
  S  S2  2  0.2838  0.5778  0.7767  1.0
]