data_Sm2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   33.49
_cell_angle_beta   33.49
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2AsSe
_chemical_formula_sum   'Sm2 As1 Se1'
_cell_volume   104.72
_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
  Sm  Sm0  1  0.0  0.0  0.23  1.0
  Sm  Sm1  1  0.0  0.0  0.37  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.3  1.0

data_Sm2AsSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.27
_cell_length_b   4.2
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sm2AsSe
_chemical_formula_sum   'Sm4 As2 Se2'
_cell_volume   209.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sm  Sm0  2  0.0  0.0  0.63  1.0
  Sm  Sm1  2  0.0  0.0  0.77  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Se  Se3  2  0.0  0.0  0.7  1.0

Sm Sm As Se