data_[Er4Mg2Ti2O12]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2485]
_cell_length_b [5.5576]
_cell_length_c [9.2019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er2MgTiO6]
_chemical_formula_sum '[Er4 Mg2 Ti2 O12]'
_cell_volume [221.2842]
_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  4  0.2717  0.5686  0.2519  1
  Mg  Mg1  2  0.5000  0.0000  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.1251  0.5451  0.7445  1
  O  O4  4  0.2500  0.2020  0.5642  1
  O  O5  4  0.3606  0.6899  0.5584  1
]