data_[K2Mg2Mn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6225]
_cell_length_b [3.6733]
_cell_length_c [10.5254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMgMnS3]
_chemical_formula_sum '[K2 Mg2 Mn2 S6]'
_cell_volume [274.9568]
_cell_formula_units_Z [2]
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  0.2080  0.7500  0.2045  1
  Mg  Mg1  2  0.3824  0.7500  0.8813  1
  Mn  Mn2  2  0.1758  0.2500  0.6131  1
  S  S3  2  0.0150  0.2500  0.3629  1
  S  S4  2  0.2704  0.2500  0.9773  1
  S  S5  2  0.3903  0.7500  0.6475  1
]