data_[Ba2Sr10Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.9865]
_cell_length_b [17.8859]
_cell_length_c [8.3852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaSr5Mg6]
_chemical_formula_sum '[Ba2 Sr10 Mg12]'
_cell_volume [897.8414]
_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  0.0000  0.0000  0.0000  1
  Sr  Sr1  4  0.0000  0.3324  0.0000  1
  Sr  Sr2  4  0.0000  0.3346  0.5000  1
  Sr  Sr3  2  0.0000  0.0000  0.5000  1
  Mg  Mg4  8  0.0000  0.1685  0.2554  1
  Mg  Mg5  4  0.0000  0.5000  0.2544  1
]