data_[Li2Mn1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6107]
_cell_length_b [4.0425]
_cell_length_c [5.3102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2MnRu]
_chemical_formula_sum '[Li2 Mn1 Ru1]'
_cell_volume [55.0695]
_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
[
  Li  Li0  1  0.0119  0.0000  0.0194  1
  Li  Li1  1  0.6969  0.5000  0.2273  1
  Mn  Mn2  1  0.5749  0.0000  0.5494  1
  Ru  Ru3  1  0.2162  0.5000  0.7039  1
]