data_[K2Sr1Mo1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  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 [6.8147]
_cell_length_b [8.6518]
_cell_length_c [6.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2SrMoCl8]
_chemical_formula_sum '[K2 Sr1 Mo1 Cl8]'
_cell_volume [401.9371]
_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
[
  K  K0  2  0.5000  0.2443  0.5000  1.0
  Sr  Sr1  1  0.0000  0.5000  0.0000  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2049  0.2029  0.8670  1.0
  Cl  Cl4  2  0.1934  0.0000  0.2926  1.0
  Cl  Cl5  2  0.2573  0.5000  0.3229  1.0
]