data_[Er12Sb2As4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9292]
_cell_length_b [4.1101]
_cell_length_c [8.2332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SbAs2Se3]
_chemical_formula_sum '[Er12 Sb2 As4 Se6]'
_cell_volume [590.9947]
_cell_formula_units_Z [2]
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  4  0.0048  0.0000  0.2623  1.0
  Er  Er1  4  0.1707  0.5000  0.5770  1.0
  Er  Er2  4  0.1714  0.5000  0.0982  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1673  0.0000  0.3351  1.0
  Se  Se5  4  0.1643  0.0000  0.8331  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]