data_[K12Sr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7554]
_cell_length_b [14.6054]
_cell_length_c [9.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K3Sr]
_chemical_formula_sum '[K12 Sr4]'
_cell_volume [1080.7758]
_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
[
  K  K0  8  0.2495  0.5004  0.1207  1.0
  K  K1  4  0.0962  0.7500  0.8745  1.0
  Sr  Sr2  4  0.0947  0.7500  0.3607  1.0
]