data_[K1Mg6B1O7]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.7857]
_cell_length_b [4.7857]
_cell_length_c [7.8508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [KMg6BO7]
_chemical_formula_sum '[K1 Mg6 B1 O7]'
_cell_volume [179.8047]
_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  0.0000  0.0000  0.0013  1
  Mg  Mg1  2  0.0000  0.5000  0.2555  1
  Mg  Mg2  2  0.0000  0.5000  0.7435  1
  Mg  Mg3  1  0.5000  0.5000  0.0045  1
  Mg  Mg4  1  0.5000  0.5000  0.4958  1
  B  B5  1  0.0000  0.0000  0.5007  1
  O  O6  2  0.0000  0.5000  0.4993  1
  O  O7  2  0.0000  0.5000  0.9994  1
  O  O8  1  0.0000  0.0000  0.3304  1
  O  O9  1  0.0000  0.0000  0.6716  1
  O  O10  1  0.5000  0.5000  0.7503  1
]