data_[Er4Mg4Sc4Se16]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0392]
_cell_length_b [8.1268]
_cell_length_c [11.4349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ErMgScSe4]
_chemical_formula_sum '[Er4 Mg4 Sc4 Se16]'
_cell_volume [747.0783]
_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
[
  Er  Er0  4  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.2500  0.6259  1.0
  Sc  Sc2  4  0.2500  0.2500  0.2500  1.0
  Se  Se3  8  0.0000  0.0190  0.2482  1.0
  Se  Se4  8  0.2439  0.2500  0.0113  1.0
]