data_[In1Ag2As1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5792]
_cell_length_b [6.4880]
_cell_length_c [7.1512]
_cell_angle_alpha [70.9201]
_cell_angle_beta [67.2598]
_cell_angle_gamma [89.4880]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InAg2AsSe4]
_chemical_formula_sum '[In1 Ag2 As1 Se4]'
_cell_volume [223.5639]
_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
[
  In  In0  1  0.9869  0.5101  0.9881  1.0
  Ag  Ag1  1  0.5250  0.0441  0.9523  1.0
  Ag  Ag2  1  0.7578  0.7372  0.4796  1.0
  As  As3  1  0.2209  0.2715  0.4650  1.0
  Se  Se4  1  0.1974  0.6513  0.2047  1.0
  Se  Se5  1  0.3862  0.3826  0.7005  1.0
  Se  Se6  1  0.6297  0.1505  0.2487  1.0
  Se  Se7  1  0.9091  0.8657  0.7352  1.0
]