data_[K3Er3Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9480]
_cell_length_b [7.9480]
_cell_length_c [5.9885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [KErMg]
_chemical_formula_sum '[K3 Er3 Mg3]'
_cell_volume [327.6204]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.5000  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Er  Er2  3  0.0000  0.4842  0.0000  1
  Mg  Mg3  3  0.0000  0.7813  0.5000  1
]