data_Cu2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.24
_cell_angle_alpha   105.48
_cell_angle_beta   105.48
_cell_angle_gamma   55.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SbSe
_chemical_formula_sum   'Cu2 Sb1 Se1'
_cell_volume   72.52
_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  0.28  0.0  0.62  1.0
  Cu  Cu1  1  0.64  0.0  0.33  1.0
  Sb  Sb2  1  0.46  0.0  0.98  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cu2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.85
_cell_length_c   6.24
_cell_angle_alpha   105.48
_cell_angle_beta   90.0
_cell_angle_gamma   117.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SbSe
_chemical_formula_sum   'Cu2 Sb1 Se1'
_cell_volume   72.52
_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  0.36  0.67  1.0
  Cu  Cu1  1  0.0  0.72  0.38  1.0
  Sb  Sb2  1  0.0  0.54  0.02  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cu Cu Sb Se