data_ZrAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   3.94
_cell_angle_alpha   91.16
_cell_angle_beta   91.16
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgSe2
_chemical_formula_sum   'Zr1 Ag1 Se2'
_cell_volume   87.15
_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  0.38  0.0  0.51  1.0
  Ag  Ag0  1  1.0  0.0  0.41  1.0
  Se  Se1  1  0.23  0.0  0.5  1.0
  Se  Se2  1  0.4  0.0  0.45  1.0

data_ZrAgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.94
_cell_length_c   6.34
_cell_angle_alpha   91.16
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgSe2
_chemical_formula_sum   'Zr1 Ag1 Se2'
_cell_volume   87.15
_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  0.0  0.51  0.38  1.0
  Ag  Ag1  1  0.0  0.41  1.0  1.0
  Se  Se2  1  0.0  0.45  0.4  1.0
  Se  Se3  1  0.0  0.5  0.23  1.0

Zr Ag Se Se