data_[Ca2Tm1Pu1As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1643]
_cell_length_b [4.1873]
_cell_length_c [7.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2TmPuAs4]
_chemical_formula_sum '[Ca2 Tm1 Pu1 As4]'
_cell_volume [204.5140]
_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
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Tm  Tm2  1  0.0000  0.0000  0.0000  1
  Pu  Pu3  1  0.5000  0.5000  0.0000  1
  As  As4  2  0.2482  0.5000  0.2308  1
  As  As5  2  0.2596  0.0000  0.7705  1
]