data_[K4Sr2Mg2]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5350]
_cell_length_b [4.4558]
_cell_length_c [7.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2SrMg]
_chemical_formula_sum '[K4 Sr2 Mg2]'
_cell_volume [419.6122]
_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
[
  K  K0  2  0.0085  0.0000  0.0192  1
  K  K1  2  0.2874  0.5000  0.2311  1
  Sr  Sr2  2  0.2144  0.0000  0.6623  1
  Mg  Mg3  2  0.4896  0.0000  0.5874  1
]