data_[Ca1Tm1Pu2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6512]
_cell_length_b [4.4025]
_cell_length_c [7.6744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTm(PuTe2)2]
_chemical_formula_sum '[Ca1 Tm1 Pu2 Te4]'
_cell_volume [244.0796]
_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  0.0000  1
  Tm  Tm1  1  0.5000  0.5000  0.0000  1
  Pu  Pu2  1  0.0000  0.5000  0.5000  1
  Pu  Pu3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2533  0.5000  0.2453  1
  Te  Te5  2  0.2569  0.0000  0.7576  1
]