data_[Na1Y1Mg2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5053]
_cell_length_b [8.2208]
_cell_length_c [6.7552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaYMg2Br8]
_chemical_formula_sum '[Na1 Y1 Mg2 Br8]'
_cell_volume [361.2558]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.5000  0.2625  0.5000  1.0
  Br  Br3  4  0.2361  0.2402  0.1826  1.0
  Br  Br4  2  0.2823  0.0000  0.6677  1.0
  Br  Br5  2  0.2866  0.5000  0.6617  1.0
]