data_[Mg2V4Cr4S16]
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 [Imm2]
_cell_length_a [6.9596]
_cell_length_b [7.1139]
_cell_length_c [9.9251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgV2(CrS4)2]
_chemical_formula_sum '[Mg2 V4 Cr4 S16]'
_cell_volume [491.3930]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.6307  1.0
  V  V1  4  0.2166  0.5000  0.2359  1.0
  Cr  Cr2  4  0.0000  0.2587  0.0055  1.0
  S  S3  4  0.0000  0.2194  0.7645  1.0
  S  S4  4  0.0000  0.2547  0.2486  1.0
  S  S5  4  0.2234  0.0000  0.9848  1.0
  S  S6  4  0.2411  0.5000  0.0062  1.0
]