data_[Li1Mn1Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.5797]
_cell_length_b [4.3040]
_cell_length_c [5.0000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiMnMo2]
_chemical_formula_sum '[Li1 Mn1 Mo2]'
_cell_volume [54.7903]
_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  0.4517  0.0000  0.4982  1
  Mn  Mn1  1  0.2583  0.5000  0.7566  1
  Mo  Mo2  1  0.0178  0.0000  0.9786  1
  Mo  Mo3  1  0.7722  0.5000  0.2666  1
]