data_[Ce2Pr6Er4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  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 [7.2777]
_cell_length_b [12.6014]
_cell_length_c [7.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePr3(ErAs3)2]
_chemical_formula_sum '[Ce2 Pr6 Er4 As12]'
_cell_volume [630.4908]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1662  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  4  0.0000  0.3333  0.0000  1.0
  As  As4  8  0.2467  0.1675  0.2378  1.0
  As  As5  4  0.2440  0.5000  0.2366  1.0
]