data_[Mg4Mn4Co4S12]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4727]
_cell_length_b [11.8012]
_cell_length_c [9.2191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgMnCoS3]
_chemical_formula_sum '[Mg4 Mn4 Co4 S12]'
_cell_volume [377.8166]
_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  0.2362  0.2500  1
  Mn  Mn1  4  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.0000  0.4751  0.7500  1
  S  S3  8  0.0000  0.3582  0.5640  1
  S  S4  4  0.0000  0.0897  0.7500  1
]