data_[Li1Re2Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6224]
_cell_length_b [4.3380]
_cell_length_c [5.2150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiRe2Mo]
_chemical_formula_sum '[Li1 Re2 Mo1]'
_cell_volume [58.4692]
_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  0.5084  0.0000  0.4999  1
  Re  Re1  1  0.7634  0.5000  0.2551  1
  Re  Re2  1  0.9936  0.0000  0.0070  1
  Mo  Mo3  1  0.2345  0.5000  0.7380  1
]