data_[Be4Ni16P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8200]
_cell_length_b [3.6790]
_cell_length_c [5.0598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2Ni8P]
_chemical_formula_sum '[Be4 Ni16 P2]'
_cell_volume [227.3133]
_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  4  0.1847  0.0000  0.7035  1.0
  Ni  Ni1  4  0.0245  0.0000  0.7670  1.0
  Ni  Ni2  4  0.0996  0.5000  0.4547  1.0
  Ni  Ni3  4  0.1653  0.5000  0.9590  1.0
  Ni  Ni4  4  0.2007  0.0000  0.2954  1.0
  P  P5  2  0.0000  0.5000  0.0000  1.0
]