data_[K2Nd2Mn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  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 [8.8804]
_cell_length_b [4.1736]
_cell_length_c [9.5538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNdMnS3]
_chemical_formula_sum '[K2 Nd2 Mn2 S6]'
_cell_volume [342.5011]
_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  0.1926  0.2500  0.2186  1.0
  Nd  Nd1  2  0.3368  0.7500  0.8523  1.0
  Mn  Mn2  2  0.0867  0.2500  0.6067  1.0
  S  S3  2  0.1146  0.2500  0.8553  1.0
  S  S4  2  0.1902  0.7500  0.5307  1.0
  S  S5  2  0.4501  0.7500  0.1538  1.0
]