data_[Er12Te6C4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9015]
_cell_length_b [3.8934]
_cell_length_c [8.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Te3C2Se]
_chemical_formula_sum '[Er12 Te6 C4 Se2]'
_cell_volume [556.4583]
_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  0.0314  0.0000  0.2571  1.0
  Er  Er1  4  0.1732  0.5000  0.1415  1.0
  Er  Er2  4  0.1822  0.5000  0.5513  1.0
  Te  Te3  4  0.1571  0.0000  0.8338  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  C  C5  4  0.1711  0.0000  0.3369  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]