data_[Y28As4P20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0051]
_cell_length_b [13.1948]
_cell_length_c [23.5652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y7AsP5]
_chemical_formula_sum '[Y28 As4 P20]'
_cell_volume [1245.3285]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.0000  0.1364  0.0353  1
  Y  Y1  8  0.0000  0.3218  0.6753  1
  Y  Y2  8  0.0000  0.4102  0.1049  1
  Y  Y3  4  0.0000  0.0443  0.7500  1
  As  As4  4  0.0000  0.2968  0.2500  1
  P  P5  8  0.0000  0.0436  0.1451  1
  P  P6  8  0.0000  0.2275  0.5736  1
  P  P7  4  0.0000  0.5000  0.0000  1
]