data_[Er1Mn6Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4539]
_cell_length_b [5.4539]
_cell_length_c [9.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Er(MnSn)6]
_chemical_formula_sum '[Er1 Mn6 Sn6]'
_cell_volume [231.9107]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  6  0.0000  0.5000  0.2486  1.0
  Sn  Sn2  2  0.0000  0.0000  0.3333  1.0
  Sn  Sn3  2  0.3333  0.6667  0.0000  1.0
  Sn  Sn4  2  0.3333  0.6667  0.5000  1.0
]