data_SrZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   138.18
_cell_angle_beta   138.18
_cell_angle_gamma   60.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnSe
_chemical_formula_sum   'Sr1 Zn1 Se1'
_cell_volume   80.91
_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  0.0  0.0  0.46  1.0
  Zn  Zn2  1  0.0  0.0  0.34  1.0
  Se  Se0  1  0.0  0.0  0.02  1.0

data_SrZnSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   120.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZnSe
_chemical_formula_sum   'Sr2 Zn2 Se2'
_cell_volume   161.82
_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  0.04  0.5  0.54  1.0
  Zn  Zn1  2  0.16  0.5  0.66  1.0
  Se  Se2  2  0.48  0.5  0.98  1.0

Sr Zn Se