data_[K2Be2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7346]
_cell_length_b [5.1128]
_cell_length_c [8.3655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBePO4]
_chemical_formula_sum '[K2 Be2 P2 O8]'
_cell_volume [237.2702]
_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
[
  K  K0  2  0.2566  0.7500  0.0189  1
  Be  Be1  2  0.1226  0.2500  0.3827  1
  P  P2  2  0.0813  0.2500  0.7234  1
  O  O3  4  0.0839  0.5047  0.2803  1
  O  O4  2  0.1865  0.2500  0.5710  1
  O  O5  2  0.2754  0.2500  0.8852  1
]