data_[Mg6V3Cr9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2361]
_cell_length_b [7.2361]
_cell_length_c [17.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg2VCr3S8]
_chemical_formula_sum '[Mg6 V3 Cr9 S24]'
_cell_volume [801.3430]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  6  0.0000  0.0000  0.1244  1.0
  V  V1  3  -0.0000  -0.0000  0.5000  1.0
  Cr  Cr2  9  0.0000  0.5000  0.0000  1.0
  S  S3  18  0.0336  0.5168  0.2548  1.0
  S  S4  6  0.0000  0.0000  0.2631  1.0
]