data_[La4Y6Er2As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3260]
_cell_length_b [4.2093]
_cell_length_c [8.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y3ErAs6]
_chemical_formula_sum '[La4 Y6 Er2 As12]'
_cell_volume [631.7131]
_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
[
  La  La0  4  0.1650  0.0000  0.3306  1.0
  Y  Y1  4  0.1670  0.0000  0.8344  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.0035  0.0000  0.7544  1.0
  As  As5  4  0.1638  0.5000  0.5906  1.0
  As  As6  4  0.1653  0.5000  0.0734  1.0
]