data_[Mn4Zn4Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3227]
_cell_length_b [7.4965]
_cell_length_c [10.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnZnSnS4]
_chemical_formula_sum '[Mn4 Zn4 Sn4 S16]'
_cell_volume [581.2023]
_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
[
  Mn  Mn0  4  0.2500  0.2500  0.2500  1
  Zn  Zn1  4  0.0000  0.2500  0.6421  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.0205  0.2441  1
  S  S4  8  0.2499  0.2500  0.0074  1
]