data_[K1Sr2Mn1Cl8]
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
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4118]
_cell_length_b [8.7343]
_cell_length_c [6.7498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2MnCl8]
_chemical_formula_sum '[K1 Sr2 Mn1 Cl8]'
_cell_volume [377.7518]
_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  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2385  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2045  0.1879  0.1460  1.0
  Cl  Cl4  2  0.2569  0.0000  0.6817  1.0
  Cl  Cl5  2  0.2919  0.5000  0.6598  1.0
]