data_[Li1Mn2Re1]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5303]
_cell_length_b [4.1047]
_cell_length_c [4.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiMn2Re]
_chemical_formula_sum '[Li1 Mn2 Re1]'
_cell_volume [49.3632]
_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  0.2285  0.5000  0.7588  1
  Mn  Mn1  1  0.0232  0.0000  0.9935  1
  Mn  Mn2  1  0.7374  0.5000  0.2501  1
  Re  Re3  1  0.5109  0.0000  0.4977  1
]