data_[Sr1Mg2Mn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  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 [6.1008]
_cell_length_b [7.8517]
_cell_length_c [6.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrMg2MnCl8]
_chemical_formula_sum '[Sr1 Mg2 Mn1 Cl8]'
_cell_volume [301.9154]
_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
  Mg  Mg1  2  0.5000  0.2382  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2324  0.2218  0.1835  1.0
  Cl  Cl4  2  0.2818  0.0000  0.6727  1.0
  Cl  Cl5  2  0.2986  0.5000  0.6517  1.0
]