data_[In3Ag3P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5738]
_cell_length_b [8.0476]
_cell_length_c [19.3693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3Ag3P4]
_chemical_formula_sum '[In3 Ag3 P4]'
_cell_volume [712.9486]
_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  2  0.9916  0.1960  0.6133  1
  In  In1  1  0.4978  0.5000  0.3878  1
  Ag  Ag2  2  0.9993  0.2666  0.4433  1
  Ag  Ag3  1  0.3511  0.5000  0.5605  1
  P  P4  2  0.4905  0.1364  0.4364  1
  P  P5  1  0.5051  0.0000  0.5378  1
  P  P6  1  0.8464  0.5000  0.5277  1
]