data_[Ag2P1H1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8600]
_cell_length_b [5.9899]
_cell_length_c [6.6615]
_cell_angle_alpha [114.8568]
_cell_angle_beta [112.1367]
_cell_angle_gamma [94.7997]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2PHSe4]
_chemical_formula_sum '[Ag2 P1 H1 Se4]'
_cell_volume [188.1944]
_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
[
  Ag  Ag0  1  0.5201  0.9886  0.9647  1.0
  Ag  Ag1  1  0.7008  0.8707  0.5458  1.0
  P  P2  1  0.2772  0.2630  0.5106  1.0
  H  H3  1  0.0604  0.4189  0.1519  1.0
  Se  Se4  1  0.1674  0.1960  0.7725  1.0
  Se  Se5  1  0.2903  0.9031  0.2232  1.0
  Se  Se6  1  0.6521  0.5750  0.7454  1.0
  Se  Se7  1  0.9447  0.3977  0.3116  1.0
]