data_[Li2Mg28Mn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.2331]
_cell_length_b [6.3132]
_cell_length_c [10.8603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiMg14Mn]
_chemical_formula_sum '[Li2 Mg28 Mn2]'
_cell_volume [701.6076]
_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
[
  Li  Li0  2  0.5000  0.0000  0.3339  1
  Mg  Mg1  8  0.2625  0.2476  0.9135  1
  Mg  Mg2  4  0.0000  0.2492  0.5830  1
  Mg  Mg3  4  0.2523  0.0000  0.1668  1
  Mg  Mg4  4  0.2572  0.0000  0.6689  1
  Mg  Mg5  4  0.5000  0.2498  0.0859  1
  Mg  Mg6  2  0.0000  0.0000  0.3345  1
  Mg  Mg7  2  0.0000  0.0000  0.8343  1
  Mn  Mn8  2  0.5000  0.0000  0.8340  1
]