data_[Er6Mg2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.5479]
_cell_length_b [3.9342]
_cell_length_c [8.8575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Er3MgTe]
_chemical_formula_sum '[Er6 Mg2 Te2]'
_cell_volume [288.2690]
_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  1  0.0104  0.0000  0.7841  1
  Er  Er1  1  0.0233  0.5000  0.4451  1
  Er  Er2  1  0.3485  0.0000  0.4872  1
  Er  Er3  1  0.3698  0.5000  0.1730  1
  Er  Er4  1  0.6849  0.5000  0.5623  1
  Er  Er5  1  0.7980  0.5000  0.0372  1
  Mg  Mg6  1  0.3239  0.5000  0.7862  1
  Mg  Mg7  1  0.6875  0.0000  0.2877  1
  Te  Te8  1  0.0780  0.0000  0.1720  1
  Te  Te9  1  0.6172  0.0000  0.8008  1
]