data_[Na12Sr4Ca4]
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 [Imma]
_cell_length_a [7.1000]
_cell_length_b [8.9585]
_cell_length_c [13.1822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Na3SrCa]
_chemical_formula_sum '[Na12 Sr4 Ca4]'
_cell_volume [838.4617]
_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
[
  Na  Na0  8  0.2500  0.0695  0.7500  1.0
  Na  Na1  4  0.0000  0.2500  0.2921  1.0
  Sr  Sr2  4  0.0000  0.2500  0.0101  1.0
  Ca  Ca3  4  0.0000  0.0000  0.5000  1.0
]