data_KBePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46
_cell_length_b   8.62
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBePO4
_chemical_formula_sum   'K4 Be4 P4 O16'
_cell_volume   363.89
_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
  K  K0  1  0.21  0.52  0.26  1.0
  K  K1  1  0.25  0.11  0.75  1.0
  K  K2  1  0.02  0.83  0.75  1.0
  K  K3  1  0.43  0.79  0.26  1.0
  Be  Be4  1  0.92  0.54  0.7  1.0
  Be  Be5  1  0.54  0.08  0.2  1.0
  Be  Be6  1  0.76  0.85  0.2  1.0
  Be  Be7  1  0.69  0.77  0.7  1.0
  P  P8  1  0.84  0.7  0.69  1.0
  P  P9  1  0.62  0.92  0.19  1.0
  P  P10  1  0.85  0.02  0.19  1.0
  P  P11  1  0.61  0.61  0.69  1.0
  O  O12  1  0.43  0.05  0.23  1.0
  O  O13  1  0.03  0.57  0.74  1.0
  O  O14  1  0.25  0.37  0.74  1.0
  O  O15  1  0.2  0.26  0.23  1.0
  O  O16  1  0.12  0.97  0.12  1.0
  O  O17  1  0.34  0.65  0.62  1.0
  O  O18  1  0.11  0.28  0.62  1.0
  O  O19  1  0.35  0.34  0.12  1.0
  O  O20  1  0.37  0.91  0.2  1.0
  O  O21  1  0.09  0.71  0.7  1.0
  O  O22  1  0.31  0.22  0.7  1.0
  O  O23  1  0.14  0.4  0.2  1.0
  O  O24  1  0.08  0.5  0.68  1.0
  O  O25  1  0.38  0.13  0.19  1.0
  O  O26  1  0.15  0.81  0.19  1.0
  O  O27  1  0.31  0.81  0.68  1.0

data_KBePO4
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   8.46
_cell_length_b   4.99
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   KBePO4
_chemical_formula_sum   'K4 Be4 P4 O16'
_cell_volume   363.89
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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  0.02  0.24  0.79  1.0
  K  K1  2  0.21  0.75  0.48  1.0
  Be  Be2  2  0.31  0.8  0.77  1.0
  Be  Be3  2  0.46  0.3  0.46  1.0
  P  P4  2  0.38  0.31  0.3  1.0
  P  P5  2  0.39  0.81  0.61  1.0
  O  O6  2  0.03  0.26  0.05  1.0
  O  O7  2  0.08  0.31  0.5  1.0
  O  O8  2  0.09  0.3  0.91  1.0
  O  O9  2  0.11  0.38  0.34  1.0
  O  O10  2  0.12  0.88  0.03  1.0
  O  O11  2  0.14  0.8  0.6  1.0
  O  O12  2  0.15  0.82  0.81  1.0
  O  O13  2  0.2  0.77  0.74  1.0

K K K K Be Be Be Be P P P P O O O O O O O O O O O O O O O O