data_[Be6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5219]
_cell_length_b [6.4614]
_cell_length_c [18.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.6279]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be3P2]
_chemical_formula_sum '[Be6 P4]'
_cell_volume [421.5683]
_cell_formula_units_Z [2]
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
[
  Be  Be0  1  0.1655  0.5096  0.4890  1
  Be  Be1  1  0.5261  0.7944  0.4442  1
  Be  Be2  1  0.5610  0.1626  0.4033  1
  Be  Be3  1  0.6105  0.3328  0.5301  1
  Be  Be4  1  0.9287  0.6242  0.5952  1
  Be  Be5  1  0.9756  0.0101  0.5376  1
  P  P6  1  0.0390  0.9872  0.4182  1
  P  P7  1  0.0942  0.3101  0.5933  1
  P  P8  1  0.4407  0.7925  0.5658  1
  P  P9  1  0.6588  0.4766  0.4233  1
]