data_[Ba2Mg4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7478]
_cell_length_b [4.4518]
_cell_length_c [11.5403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(MgSi)2]
_chemical_formula_sum '[Ba2 Mg4 Si4]'
_cell_volume [243.3617]
_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
[
  Ba  Ba0  2  0.2944  0.7500  0.7443  1.0
  Mg  Mg1  2  0.1667  0.7500  0.1245  1.0
  Mg  Mg2  2  0.2492  0.2500  0.5002  1.0
  Si  Si3  2  0.2283  0.7500  0.3630  1.0
  Si  Si4  2  0.3536  0.2500  0.9904  1.0
]