data_[Nd4Mn2Cr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3367]
_cell_length_b [7.0368]
_cell_length_c [10.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2MnCrS6]
_chemical_formula_sum '[Nd4 Mn2 Cr2 S12]'
_cell_volume [402.9063]
_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
[
  Nd  Nd0  4  0.2899  0.6020  0.7498  1.0
  Mn  Mn1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  2  0.5000  0.0000  0.0000  1.0
  S  S3  4  0.1377  0.5200  0.2483  1.0
  S  S4  4  0.2342  0.1838  0.0495  1.0
  S  S5  4  0.3695  0.6898  0.0483  1.0
]