data_[Ba4Sr4Y4]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1278]
_cell_length_b [3.7698]
_cell_length_c [10.2937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSrY]
_chemical_formula_sum '[Ba4 Sr4 Y4]'
_cell_volume [574.5300]
_cell_formula_units_Z [4]
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  4  0.2189  0.5000  0.1747  1
  Sr  Sr1  4  0.0319  0.5000  0.8084  1
  Y  Y2  4  0.1490  0.5000  0.5093  1
]