data_image0
_chemical_formula_structural       Cu2S4
_chemical_formula_sum              "Cu2 S4"
_cell_length_a       4.700776
_cell_length_b       5.819057
_cell_length_c       3.596584
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Cu1       1.0  0.0  0.0  0.0  1.0000
  Cu  Cu2       1.0  0.5000004255  0.5000002578  0.49999944389999995  1.0000
  S   S1        1.0  0.1730054782  0.3954884786  0.0  1.0000
  S   S2        1.0  0.8269953727  0.6045120369  0.0  1.0000
  S   S3        1.0  0.6730059037  0.10451177910000001  0.49999944389999995  1.0000
  S   S4        1.0  0.3269949472  0.8954887364000002  0.49999944389999995  1.0000