data_[K4Er4Mg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pnma]
_cell_length_a [11.7751]
_cell_length_b [4.4675]
_cell_length_c [16.0490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KErMgTe3]
_chemical_formula_sum '[K4 Er4 Mg4 Te12]'
_cell_volume [844.2710]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.2310  0.7500  0.4973  1
  Er  Er1  4  0.0163  0.2500  0.7534  1
  Mg  Mg2  4  0.2353  0.2500  0.2823  1
  Te  Te3  4  0.0379  0.2500  0.3745  1
  Te  Te4  4  0.0718  0.7500  0.8797  1
  Te  Te5  4  0.2346  0.7500  0.1766  1
]