data_[Er10U2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  U  1.3800  1.7500  0.9913
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0601]
_cell_length_b [12.2371]
_cell_length_c [7.0594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5UAs6]
_chemical_formula_sum '[Er10 U2 As12]'
_cell_volume [575.0224]
_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  0.0000  0.1678  0.5000  1
  Er  Er1  4  0.0000  0.3336  0.0000  1
  Er  Er2  2  0.0000  0.5000  0.5000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2482  0.1651  0.2490  1
  As  As5  4  0.2472  0.0000  0.7521  1
]