data_[Ag1P1H2Se4]
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 [5.9194]
_cell_length_b [6.2724]
_cell_length_c [6.6048]
_cell_angle_alpha [115.6537]
_cell_angle_beta [116.2134]
_cell_angle_gamma [89.9939]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgP(HSe2)2]
_chemical_formula_sum '[Ag1 P1 H2 Se4]'
_cell_volume [192.7023]
_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  0.5055  0.9743  0.0285  1.0
  P  P1  1  0.2458  0.2188  0.5387  1.0
  H  H2  1  0.1662  0.5102  0.9608  1.0
  H  H3  1  0.8186  0.0071  0.5587  1.0
  Se  Se4  1  0.1149  0.5599  0.7442  1.0
  Se  Se5  1  0.2389  0.2623  0.2272  1.0
  Se  Se6  1  0.6178  0.1924  0.8107  1.0
  Se  Se7  1  0.9052  0.8879  0.3571  1.0
]