data_[Er3Zr3Cu1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.0968]
_cell_length_b [8.0968]
_cell_length_c [3.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Er3Zr3CuTe2]
_chemical_formula_sum '[Er3 Zr3 Cu1 Te2]'
_cell_volume [211.2549]
_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  3  0.0000  0.2475  0.5000  1
  Zr  Zr1  3  0.0000  0.5906  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Te  Te3  2  0.3333  0.6667  0.5000  1
]