data_[Er6Zr3Mn3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [6.6470]
_cell_length_b [6.6470]
_cell_length_c [17.9270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Er2ZrMnS6]
_chemical_formula_sum '[Er6 Zr3 Mn3 S18]'
_cell_volume [685.9531]
_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
[
  Er  Er0  3  0.0000  0.0000  0.0185  1.0
  Er  Er1  3  0.0000  0.0000  0.5164  1.0
  Zr  Zr2  3  0.0000  0.0000  0.8210  1.0
  Mn  Mn3  3  0.0000  0.0000  0.3161  1.0
  S  S4  9  0.0132  0.6369  0.0809  1.0
  S  S5  9  0.0177  0.3721  0.5824  1.0
]