data_[Zr4Mn4Ag4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5086]
_cell_length_b [7.5794]
_cell_length_c [10.3581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ZrMnAgS4]
_chemical_formula_sum '[Zr4 Mn4 Ag4 S16]'
_cell_volume [589.4857]
_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
[
  Zr  Zr0  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.2500  0.2500  0.7500  1.0
  Ag  Ag2  4  0.0000  0.2500  0.3620  1.0
  S  S3  8  0.0000  0.0362  0.7532  1.0
  S  S4  8  0.2346  0.2500  0.9876  1.0
]