data_[Ba2Sr14Ca10]
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 [Imm2]
_cell_length_a [7.5016]
_cell_length_b [13.4497]
_cell_length_c [13.7295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaSr7Ca5]
_chemical_formula_sum '[Ba2 Sr14 Ca10]'
_cell_volume [1385.2317]
_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  0.9917  1.0
  Sr  Sr1  4  0.0000  0.2951  0.4997  1.0
  Sr  Sr2  4  0.0000  0.3509  0.0023  1.0
  Sr  Sr3  2  0.0000  0.0000  0.3524  1.0
  Sr  Sr4  2  0.0000  0.0000  0.6461  1.0
  Sr  Sr5  2  0.0000  0.5000  0.7225  1.0
  Ca  Ca6  8  0.2497  0.2541  0.2515  1.0
  Ca  Ca7  2  0.0000  0.5000  0.2774  1.0
]