data_[Ca6Tb2U4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [7.2335]
_cell_length_b [12.5256]
_cell_length_c [7.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Tb(UAs3)2]
_chemical_formula_sum '[Ca6 Tb2 U4 As12]'
_cell_volume [619.4701]
_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
[
  Ca  Ca0  4  0.0000  0.1646  0.5000  1
  Ca  Ca1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  U  U3  4  0.0000  0.3330  0.0000  1
  As  As4  8  0.2479  0.1708  0.2307  1
  As  As5  4  0.2356  0.5000  0.2313  1
]