data_[Ca1Nd2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3521]
_cell_length_b [10.2685]
_cell_length_c [18.4948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ca(NdTe2)2]
_chemical_formula_sum '[Ca1 Nd2 Te4]'
_cell_volume [826.5115]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4459  1
  Nd  Nd1  2  0.5000  0.3006  0.5301  1
  Te  Te2  2  0.0000  0.2858  0.4128  1
  Te  Te3  1  0.0000  0.5000  0.6018  1
  Te  Te4  1  0.5000  0.0000  0.5664  1
]