data_[Be2Ni10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9573]
_cell_length_b [2.4797]
_cell_length_c [5.7797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeNi5]
_chemical_formula_sum '[Be2 Ni10]'
_cell_volume [123.1676]
_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  2  0.0015  0.0000  0.0057  1.0
  Ni  Ni1  2  0.0520  0.0000  0.6033  1.0
  Ni  Ni2  2  0.1689  0.5000  0.3313  1.0
  Ni  Ni3  2  0.2103  0.5000  0.9424  1.0
  Ni  Ni4  2  0.3426  0.0000  0.6903  1.0
  Ni  Ni5  2  0.3914  0.0000  0.2603  1.0
]