data_[Be3P6]
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 [P-62m]
_cell_length_a [6.5949]
_cell_length_b [6.5949]
_cell_length_c [3.1475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [BeP2]
_chemical_formula_sum '[Be3 P6]'
_cell_volume [118.5542]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.0000  1
  Be  Be1  1  0.0000  0.0000  0.5000  1
  P  P2  3  0.0000  0.2897  0.0000  1
  P  P3  3  0.0000  0.5450  0.5000  1
]