data_Sr2AsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   35.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsSe
_chemical_formula_sum   'Sr2 As1 Se1'
_cell_volume   120.0
_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  Sr2  1  0.51  0.0  0.19  1.0
  Sr  Sr3  1  0.0  0.0  0.2  1.0
  As  As0  1  0.0  0.0  0.04  1.0
  Se  Se1  1  0.51  0.0  0.12  1.0

data_Sr2AsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.02
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AsSe
_chemical_formula_sum   'Sr2 As1 Se1'
_cell_volume   120.0
_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  Sr0  1  0.8  0.0  0.8  1.0
  Sr  Sr1  1  0.81  0.51  0.81  1.0
  As  As2  1  0.96  0.0  0.96  1.0
  Se  Se3  1  0.88  0.51  0.88  1.0

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