data_[Er1Cu3Te3]
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 [Pmm2]
_cell_length_a [4.0408]
_cell_length_b [6.3351]
_cell_length_c [18.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er(CuTe)3]
_chemical_formula_sum '[Er1 Cu3 Te3]'
_cell_volume [482.7868]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5008  1
  Cu  Cu1  2  0.0000  0.2928  0.5502  1
  Cu  Cu2  1  0.5000  0.5000  0.4720  1
  Te  Te3  2  0.0000  0.2522  0.4074  1
  Te  Te4  1  0.5000  0.5000  0.6120  1
]