data_[Ca4U2Cu4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5753]
_cell_length_b [4.0233]
_cell_length_c [7.0579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2U(CuAs2)2]
_chemical_formula_sum '[Ca4 U2 Cu4 As8]'
_cell_volume [385.6062]
_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  0.1373  0.0000  0.5846  1
  U  U1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1811  0.5000  0.9866  1
  As  As3  4  0.0103  0.5000  0.7352  1
  As  As4  4  0.2029  0.0000  0.2077  1
]