data_[Li2Mn2P4Ru2]
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
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9019]
_cell_length_b [3.9019]
_cell_length_c [9.3892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LiMnP2Ru]
_chemical_formula_sum '[Li2 Mn2 P4 Ru2]'
_cell_volume [142.9480]
_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  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.7500  1.0
  P  P2  4  0.0000  0.0000  0.3799  1.0
  Ru  Ru3  2  0.0000  0.5000  0.2500  1.0
]