data_[Ca2Pr1Nd1Te4]
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
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7301]
_cell_length_b [4.4672]
_cell_length_c [7.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2PrNdTe4]
_chemical_formula_sum '[Ca2 Pr1 Nd1 Te4]'
_cell_volume [259.2804]
_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  0.5000  0.5000  1.0
  Ca  Ca1  1  0.5000  0.0000  0.5000  1.0
  Pr  Pr2  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2463  0.0000  0.7433  1.0
  Te  Te5  2  0.2509  0.5000  0.2558  1.0
]