data_SrY2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   147.73
_cell_angle_beta   130.27
_cell_angle_gamma   60.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Se
_chemical_formula_sum   'Sr1 Y2 Se1'
_cell_volume   125.56
_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  Sr1  1  0.88  0.0  0.49  1.0
  Y  Y2  1  0.0  0.0  0.57  1.0
  Y  Y3  1  0.0  0.85  0.34  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_SrY2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.7
_cell_length_c   6.78
_cell_angle_alpha   114.87
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Se
_chemical_formula_sum   'Sr1 Y2 Se1'
_cell_volume   125.56
_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  0.39  0.51  0.39  1.0
  Y  Y1  1  0.43  0.43  0.43  1.0
  Y  Y2  1  0.66  0.51  0.51  1.0
  Se  Se3  1  1.0  1.0  1.0  1.0

Sr Y Y Se