data_[Er2Cu4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6341]
_cell_length_b [4.1308]
_cell_length_c [11.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErCu2Te3]
_chemical_formula_sum '[Er2 Cu4 Te6]'
_cell_volume [340.0075]
_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  2  0.2241  0.7500  0.6964  1.0
  Cu  Cu1  2  0.0456  0.7500  0.4195  1.0
  Cu  Cu2  2  0.4224  0.2500  0.9153  1.0
  Te  Te3  2  0.0588  0.2500  0.8265  1.0
  Te  Te4  2  0.2578  0.2500  0.4889  1.0
  Te  Te5  2  0.4007  0.2500  0.1471  1.0
]