data_Zn2AgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.43
_cell_angle_alpha   96.88
_cell_angle_beta   96.88
_cell_angle_gamma   115.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgSe
_chemical_formula_sum   'Zn2 Ag1 Se1'
_cell_volume   79.08
_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
  Zn  Zn2  1  0.98  0.84  0.67  1.0
  Zn  Zn3  1  0.98  0.16  0.67  1.0
  Ag  Ag0  1  0.73  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Zn2AgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   115.52
_cell_angle_beta   96.88
_cell_angle_gamma   96.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgSe
_chemical_formula_sum   'Zn2 Ag1 Se1'
_cell_volume   79.08
_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
  Zn  Zn0  1  0.67  0.98  0.16  1.0
  Zn  Zn1  1  0.67  0.98  0.84  1.0
  Ag  Ag2  1  0.0  0.73  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Zn Zn Ag Se