data_[Ca2Np2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8793]
_cell_length_b [4.2615]
_cell_length_c [9.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaNpCuTe3]
_chemical_formula_sum '[Ca2 Np2 Cu2 Te6]'
_cell_volume [360.3889]
_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  2  0.1868  0.7500  0.2566  1
  Np  Np1  2  0.3258  0.2500  0.8367  1
  Cu  Cu2  2  0.0751  0.7500  0.5779  1
  Te  Te3  2  0.0799  0.7500  0.8549  1
  Te  Te4  2  0.2337  0.2500  0.5140  1
  Te  Te5  2  0.4206  0.2500  0.1668  1
]