data_LiMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.37
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo2Os
_chemical_formula_sum   'Li1 Mo2 Os1'
_cell_volume   58.55
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.74  0.19  0.25  1.0
  Mo  Mo2  1  0.88  0.19  0.81  1.0
  Os  Os3  1  0.81  0.0  0.53  1.0

data_LiMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.37
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo2Os
_chemical_formula_sum   'Li1 Mo2 Os1'
_cell_volume   58.55
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.74  0.19  0.25  1.0
  Mo  Mo2  1  0.88  0.19  0.81  1.0
  Os  Os3  1  0.81  0.0  0.53  1.0

Li Mo Mo Os