data_[Nd12Ga2P4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1120]
_cell_length_b [4.1114]
_cell_length_c [8.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GaP2S3]
_chemical_formula_sum '[Nd12 Ga2 P4 S6]'
_cell_volume [606.4142]
_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  0.0010  0.0000  0.2578  1.0
  Nd  Nd1  4  0.1683  0.5000  0.0885  1.0
  Nd  Nd2  4  0.1693  0.5000  0.5788  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1673  0.0000  0.3347  1.0
  S  S5  4  0.1676  0.0000  0.8317  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]