data_[Mg14Mn1B1O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [8.5337]
_cell_length_b [8.5337]
_cell_length_c [4.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg14MnBO16]
_chemical_formula_sum '[Mg14 Mn1 B1 O16]'
_cell_volume [309.4424]
_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
[
  Mg  Mg0  4  0.0000  0.2520  0.5000  1
  Mg  Mg1  4  0.2525  0.2525  0.0000  1
  Mg  Mg2  4  0.2530  0.5000  0.5000  1
  Mg  Mg3  2  0.0000  0.5000  0.0000  1
  Mn  Mn4  1  0.0000  0.0000  0.0000  1
  B  B5  1  0.5000  0.5000  0.0000  1
  O  O6  4  0.0000  0.2573  0.0000  1
  O  O7  4  0.2498  0.2498  0.5000  1
  O  O8  4  0.2532  0.5000  0.0000  1
  O  O9  2  0.0000  0.5000  0.5000  1
  O  O10  1  0.0000  0.0000  0.5000  1
  O  O11  1  0.5000  0.5000  0.5000  1
]