data_[Mg4Mn4V4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2258]
_cell_length_b [7.2827]
_cell_length_c [10.3391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgMnVS4]
_chemical_formula_sum '[Mg4 Mn4 V4 S16]'
_cell_volume [544.0832]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.8741  1.0
  Mn  Mn1  4  0.0000  0.0000  0.5000  1.0
  V  V2  4  0.2500  0.2500  0.2500  1.0
  S  S3  8  0.0000  0.0255  0.2593  1.0
  S  S4  8  0.2264  0.2500  0.4868  1.0
]