data_[Sr1Li2Mo1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0990]
_cell_length_b [8.2645]
_cell_length_c [6.2346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrLi2MoCl8]
_chemical_formula_sum '[Sr1 Li2 Mo1 Cl8]'
_cell_volume [313.1718]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  2  0.5000  0.2965  0.5000  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2308  0.2096  0.1798  1.0
  Cl  Cl4  2  0.2251  0.0000  0.7146  1.0
  Cl  Cl5  2  0.2981  0.5000  0.6694  1.0
]