data_ZrAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   30.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Se
_chemical_formula_sum   'Zr1 Ag2 Se1'
_cell_volume   81.47
_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
  Zr  Zr3  1  0.81  0.0  0.5  1.0
  Ag  Ag0  1  0.0  0.0  0.91  1.0
  Ag  Ag1  1  0.81  0.0  0.58  1.0
  Se  Se2  1  0.0  0.0  0.83  1.0

data_ZrAg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.63
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Se
_chemical_formula_sum   'Zr1 Ag2 Se1'
_cell_volume   81.47
_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
  Zr  Zr0  1  0.5  0.81  0.5  1.0
  Ag  Ag1  1  0.09  0.0  0.09  1.0
  Ag  Ag2  1  0.42  0.81  0.42  1.0
  Se  Se3  1  0.17  0.0  0.17  1.0

Zr Ag Ag Se