data_[Ca8Be4V4O20]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.0949]
_cell_length_b [12.9726]
_cell_length_c [10.0493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2BeVO5]
_chemical_formula_sum '[Ca8 Be4 V4 O20]'
_cell_volume [403.4711]
_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
[
  Ca  Ca0  4  0.0000  0.0981  0.6750  1
  Ca  Ca1  4  0.0000  0.1315  0.3248  1
  Be  Be2  4  0.0000  0.4396  0.4266  1
  V  V3  4  0.0000  0.2034  0.0296  1
  O  O4  4  0.0000  0.0526  0.0107  1
  O  O5  4  0.0000  0.2930  0.6591  1
  O  O6  4  0.0000  0.3123  0.3975  1
  O  O7  4  0.0000  0.3437  0.0099  1
  O  O8  4  0.0000  0.4993  0.2908  1
]