data_[Na4Sr4Ca4]
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 [C2/m]
_cell_length_a [13.2810]
_cell_length_b [6.2061]
_cell_length_c [7.6861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSrCa]
_chemical_formula_sum '[Na4 Sr4 Ca4]'
_cell_volume [534.8547]
_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  4  0.1453  0.5000  0.5798  1.0
  Sr  Sr1  4  0.1789  0.5000  0.1050  1.0
  Ca  Ca2  4  0.0293  0.0000  0.2726  1.0
]