data_[Be4Si4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4913]
_cell_length_b [3.7412]
_cell_length_c [7.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeSiP]
_chemical_formula_sum '[Be4 Si4 P4]'
_cell_volume [193.0589]
_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  0.2308  0.5000  0.8970  1.0
  Si  Si1  4  0.1656  0.5000  0.4469  1.0
  P  P2  4  0.1008  0.5000  0.1643  1.0
]