data_Cu4Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Se3
_chemical_formula_sum   'Cu4 Se3'
_cell_volume   123.66
_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
  Cu  Cu0  1  0.0  0.0  0.41  1.0
  Cu  Cu1  1  0.0  0.0  0.12  1.0
  Cu  Cu2  1  0.0  0.24  0.0  1.0
  Cu  Cu3  1  0.81  0.62  0.0  1.0
  Se  Se4  1  0.4  0.43  0.26  1.0
  Se  Se5  1  0.81  0.0  0.26  1.0
  Se  Se6  1  0.6  0.43  0.26  1.0

data_Cu4Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Se3
_chemical_formula_sum   'Cu4 Se3'
_cell_volume   123.66
_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
  Cu  Cu0  1  0.0  0.0  0.24  1.0
  Cu  Cu1  1  0.0  0.81  0.62  1.0
  Cu  Cu2  1  0.12  0.0  0.0  1.0
  Cu  Cu3  1  0.41  0.0  0.0  1.0
  Se  Se4  1  0.26  0.4  0.43  1.0
  Se  Se5  1  0.26  0.6  0.43  1.0
  Se  Se6  1  0.26  0.81  0.0  1.0

Cu Cu Cu Cu Se Se Se