data_[Ba2Na2Sr4Ca2]
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
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9558]
_cell_length_b [4.1450]
_cell_length_c [13.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaSr2Ca]
_chemical_formula_sum '[Ba2 Na2 Sr4 Ca2]'
_cell_volume [516.1670]
_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  0.0330  0.7500  0.7575  1.0
  Na  Na1  2  0.1970  0.2500  0.5538  1.0
  Sr  Sr2  2  0.4219  0.2500  0.3539  1.0
  Sr  Sr3  2  0.4381  0.2500  0.8604  1.0
  Ca  Ca4  2  0.1830  0.2500  0.0409  1.0
]