data_[La2Y7Er3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3948]
_cell_length_b [3.5276]
_cell_length_c [17.5642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2Y7Er3]
_chemical_formula_sum '[La2 Y7 Er3]'
_cell_volume [394.0308]
_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
[
  La  La0  2  0.0580  0.5000  0.6723  1
  Y  Y1  2  0.2304  0.5000  0.1668  1
  Y  Y2  2  0.2578  0.5000  0.4982  1
  Y  Y3  2  0.2765  0.0000  0.8381  1
  Y  Y4  1  0.0000  0.0000  0.0000  1
  Er  Er5  2  0.4548  0.0000  0.3424  1
  Er  Er6  1  0.5000  0.5000  0.0000  1
]