data_[Be8P4]
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 [C2]
_cell_length_a [3.6638]
_cell_length_b [5.8721]
_cell_length_c [7.0330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Be2P]
_chemical_formula_sum '[Be8 P4]'
_cell_volume [146.9189]
_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
[
  Be  Be0  4  0.0839  0.2641  0.1722  1.0
  Be  Be1  2  0.0000  0.1916  0.5000  1.0
  Be  Be2  2  0.0000  0.9271  0.0000  1.0
  P  P3  4  0.1217  0.9181  0.3009  1.0
]