data_[Ba1Na2Mg1P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.3729]
_cell_length_b [5.3729]
_cell_length_c [7.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaNa2Mg(PO4)2]
_chemical_formula_sum '[Ba1 Na2 Mg1 P2 O8]'
_cell_volume [176.0629]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.3333  0.6667  0.1786  1.0
  Mg  Mg2  1  0.0000  0.0000  0.0000  1.0
  P  P3  2  0.3333  0.6667  0.7426  1.0
  O  O4  6  0.1288  0.7710  0.8212  1.0
  O  O5  2  0.3333  0.6667  0.5244  1.0
]