data_FeAg2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   153.0
_cell_angle_beta   138.84
_cell_angle_gamma   49.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Se
_chemical_formula_sum   'Fe1 Ag2 Se1'
_cell_volume   76.25
_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
  Fe  Fe2  1  0.0  0.0  0.07  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0
  Ag  Ag1  1  0.48  0.0  0.64  1.0
  Se  Se3  1  0.0  0.23  0.15  1.0

data_FeAg2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.47
_cell_length_c   6.35
_cell_angle_alpha   110.58
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAg2Se
_chemical_formula_sum   'Fe1 Ag2 Se1'
_cell_volume   76.25
_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
  Fe  Fe0  1  0.93  0.93  0.93  1.0
  Ag  Ag1  1  0.83  0.83  0.83  1.0
  Ag  Ag2  1  0.84  0.36  0.84  1.0
  Se  Se3  1  0.85  0.09  0.09  1.0

Fe Ag Ag Se