data_[As6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.3011]
_cell_length_b [3.2249]
_cell_length_c [6.6002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsP]
_chemical_formula_sum '[As6 P6]'
_cell_volume [301.0222]
_cell_formula_units_Z [6]
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
[
  As  As0  2  0.0751  0.5000  0.9845  1
  As  As1  2  0.3172  0.0000  0.7883  1
  As  As2  2  0.4383  0.0000  0.6250  1
  P  P3  2  0.0057  0.0000  0.1352  1
  P  P4  2  0.1132  0.0000  0.4899  1
  P  P5  2  0.2172  0.5000  0.4770  1
]