data_[Ba6Sr10Ca2]
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
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [11.9970]
_cell_length_b [11.9970]
_cell_length_c [8.0874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Ba3Sr5Ca]
_chemical_formula_sum '[Ba6 Sr10 Ca2]'
_cell_volume [1008.0626]
_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  6  0.0000  0.3351  0.7500  1.0
  Sr  Sr1  6  0.0000  0.3249  0.2500  1.0
  Sr  Sr2  4  0.3333  0.6667  0.0000  1.0
  Ca  Ca3  2  0.0000  0.0000  0.0000  1.0
]