data_[Er12Te2As6Se4]
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
  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 [17.9851]
_cell_length_b [4.0972]
_cell_length_c [8.2652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6TeAs3Se2]
_chemical_formula_sum '[Er12 Te2 As6 Se4]'
_cell_volume [591.0268]
_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  0.0020  0.0000  0.7295  1.0
  Er  Er1  4  0.1642  0.5000  0.5906  1.0
  Er  Er2  4  0.1751  0.5000  0.0781  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1647  0.0000  0.8317  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1676  0.0000  0.3338  1.0
]