data_[Ca4Pr4Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3188]
_cell_length_b [14.2752]
_cell_length_c [11.7291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaPrCuTe3]
_chemical_formula_sum '[Ca4 Pr4 Cu4 Te12]'
_cell_volume [723.1115]
_cell_formula_units_Z [4]
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  0.2589  0.7500  1
  Pr  Pr1  4  0.0000  0.5000  0.0000  1
  Cu  Cu2  4  0.0000  0.0270  0.2500  1
  Te  Te3  8  0.0000  0.1485  0.0787  1
  Te  Te4  4  0.0000  0.4120  0.2500  1
]