data_Cu2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   140.23
_cell_angle_beta   116.72
_cell_angle_gamma   77.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnSe
_chemical_formula_sum   'Cu2 Sn1 Se1'
_cell_volume   74.09
_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  0.74  0.0  0.88  1.0
  Cu  Cu1  1  0.0  0.68  0.11  1.0
  Sn  Sn3  1  0.0  0.0  0.98  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Cu2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   63.28
_cell_angle_beta   70.11
_cell_angle_gamma   70.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnSe
_chemical_formula_sum   'Cu2 Sn1 Se1'
_cell_volume   74.09
_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  0.26  0.88  1.0
  Cu  Cu1  1  0.68  0.0  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.98  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cu Cu Sn Se