data_[K2Mg1Cu2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1641]
_cell_length_b [5.6867]
_cell_length_c [5.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K2Mg(CuO2)2]
_chemical_formula_sum '[K2 Mg1 Cu2 O4]'
_cell_volume [161.8931]
_cell_formula_units_Z [1]
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  1  0.4061  0.5000  0.6350  1
  K  K1  1  0.5582  0.0000  0.2277  1
  Mg  Mg2  1  0.0675  0.0000  0.5510  1
  Cu  Cu3  1  0.0305  0.0000  0.0281  1
  Cu  Cu4  1  0.0452  0.5000  0.0436  1
  O  O5  2  0.0024  0.2413  0.7908  1
  O  O6  2  0.1018  0.2317  0.2842  1
]