data_[Na2Sr2Ca6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [3.8741]
_cell_length_b [7.5665]
_cell_length_c [15.1727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSrCa3]
_chemical_formula_sum '[Na2 Sr2 Ca6]'
_cell_volume [442.4994]
_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
[
  Na  Na0  2  0.3170  0.7500  0.6387  1.0
  Sr  Sr1  2  0.2993  0.2500  0.5892  1.0
  Ca  Ca2  4  0.0956  0.5051  0.1915  1.0
  Ca  Ca3  2  0.4993  0.2500  0.0017  1.0
]