data_[Er4In1Sn1B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6028]
_cell_length_b [3.6028]
_cell_length_c [16.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Er4InSnB2]
_chemical_formula_sum '[Er4 In1 Sn1 B2]'
_cell_volume [186.5595]
_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  2  0.0000  0.0000  0.1546  1
  Er  Er1  2  0.3333  0.6667  0.3391  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Sn  Sn3  1  0.3333  0.6667  0.0000  1
  B  B4  2  0.6667  0.3333  0.2465  1
]