data_[Er2Cu2Te2]
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 [6.2477]
_cell_length_b [4.1838]
_cell_length_c [6.3511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErCuTe]
_chemical_formula_sum '[Er2 Cu2 Te2]'
_cell_volume [147.6695]
_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  0.1305  0.2500  0.7781  1
  Cu  Cu1  2  0.2201  0.2500  0.3779  1
  Te  Te2  2  0.3550  0.7500  0.1869  1
]