data_[Er3In12Cu3Se24]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1101]
_cell_length_b [8.1101]
_cell_length_c [19.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ErIn4CuSe8]
_chemical_formula_sum '[Er3 In12 Cu3 Se24]'
_cell_volume [1118.9375]
_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  0.0094  1.0
  In  In1  9  0.1754  0.3508  0.8305  1.0
  In  In2  3  0.0000  0.0000  0.6232  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3745  1.0
  Se  Se4  9  0.1680  0.3361  0.0849  1.0
  Se  Se5  9  0.1785  0.3569  0.5798  1.0
  Se  Se6  3  0.0000  0.0000  0.2474  1.0
  Se  Se7  3  0.0000  0.0000  0.7600  1.0
]