data_[Ca2Be2Si2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3228]
_cell_length_b [5.1594]
_cell_length_c [4.8139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaBeSiO4]
_chemical_formula_sum '[Ca2 Be2 Si2 O8]'
_cell_volume [169.3173]
_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
[
  Ca  Ca0  2  0.4868  0.5000  0.9801  1.0
  Be  Be1  2  0.2539  0.0000  0.7704  1.0
  Si  Si2  2  0.4993  0.0000  0.5144  1.0
  O  O3  4  0.1278  0.2481  0.7394  1.0
  O  O4  2  0.2895  0.0000  0.4732  1.0
  O  O5  2  0.4641  0.0000  0.1420  1.0
]