data_[Mg6V9Cr3S24]
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 [R3m]
_cell_length_a [7.1403]
_cell_length_b [7.1403]
_cell_length_c [18.1080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg2V3CrS8]
_chemical_formula_sum '[Mg6 V9 Cr3 S24]'
_cell_volume [799.5277]
_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  3  0.0000  0.0000  0.1323  1.0
  Mg  Mg1  3  0.0000  0.0000  0.8830  1.0
  V  V2  9  0.1796  0.3592  0.3341  1.0
  Cr  Cr3  3  0.0000  0.0000  0.4927  1.0
  S  S4  9  0.0408  0.5204  0.2487  1.0
  S  S5  9  0.1808  0.3615  0.0763  1.0
  S  S6  3  0.0000  0.0000  0.2681  1.0
  S  S7  3  0.0000  0.0000  0.7468  1.0
]