data_[Y6Zr3Mn3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6746]
_cell_length_b [6.6746]
_cell_length_c [17.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Y2ZrMnS6]
_chemical_formula_sum '[Y6 Zr3 Mn3 S18]'
_cell_volume [690.2622]
_cell_formula_units_Z [3]
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
[
  Y  Y0  3  0.0000  0.0000  0.0203  1.0
  Y  Y1  3  0.0000  0.0000  0.5180  1.0
  Zr  Zr2  3  0.0000  0.0000  0.8209  1.0
  Mn  Mn3  3  0.0000  0.0000  0.3161  1.0
  S  S4  9  0.0119  0.6314  0.0804  1.0
  S  S5  9  0.0166  0.3765  0.5818  1.0
]