data_SrAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAs2Se
_chemical_formula_sum   'Sr1 As2 Se1'
_cell_volume   111.66
_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
  Sr  Sr3  1  0.09  0.09  0.96  1.0
  As  As0  1  0.0  0.0  0.16  1.0
  As  As1  1  0.09  0.09  0.8  1.0
  Se  Se2  1  0.0  0.0  0.64  1.0

data_SrAs2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAs2Se
_chemical_formula_sum   'Sr2 As4 Se2'
_cell_volume   223.31
_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
  Sr  Sr0  2  0.09  0.0  0.96  1.0
  As  As1  2  0.0  0.0  0.16  1.0
  As  As2  2  0.09  0.0  0.8  1.0
  Se  Se3  2  0.0  0.0  0.64  1.0

Sr As As Se
Sr As As Se 0 2 o o o 0 1 o o + 2 3 o o o 