data_[Li2Mg2Re4]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8198]
_cell_length_b [2.6911]
_cell_length_c [5.2361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiMgRe2]
_chemical_formula_sum '[Li2 Mg2 Re4]'
_cell_volume [123.9669]
_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  0.0027  0.5000  0.4910  1
  Mg  Mg1  2  0.2448  0.5000  0.2709  1
  Re  Re2  2  0.0017  0.0000  0.9644  1
  Re  Re3  2  0.2509  0.0000  0.7737  1
]