data_[Cs2Nd2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4914]
_cell_length_b [4.2517]
_cell_length_c [10.1592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdMgS3]
_chemical_formula_sum '[Cs2 Nd2 Mg2 S6]'
_cell_volume [387.9066]
_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
[
  Cs  Cs0  2  0.2070  0.2500  0.2303  1.0
  Nd  Nd1  2  0.3344  0.7500  0.8623  1.0
  Mg  Mg2  2  0.0842  0.2500  0.6086  1.0
  S  S3  2  0.1285  0.2500  0.8556  1.0
  S  S4  2  0.1809  0.7500  0.5446  1.0
  S  S5  2  0.4697  0.7500  0.1489  1.0
]