data_[Be4P4]
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 [4.5312]
_cell_length_b [5.8310]
_cell_length_c [4.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BeP]
_chemical_formula_sum '[Be4 P4]'
_cell_volume [111.6992]
_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  2  0.0000  0.1061  0.0000  1.0
  Be  Be1  2  0.0000  0.5786  0.5000  1.0
  P  P2  4  0.2178  0.7780  0.2263  1.0
]