data_[Mg2Al4P4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1655]
_cell_length_b [7.5079]
_cell_length_c [7.1026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgAl2(PO5)2]
_chemical_formula_sum '[Mg2 Al4 P4 O20]'
_cell_volume [334.5362]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.2665  0.7340  0.2747  1
  P  P2  4  0.2509  0.1120  0.5114  1
  O  O3  4  0.0552  0.2435  0.4234  1
  O  O4  4  0.2121  0.5113  0.8193  1
  O  O5  4  0.2280  0.6726  0.5083  1
  O  O6  4  0.2667  0.0016  0.6989  1
  O  O7  4  0.4461  0.2304  0.5796  1
]