data_[Ca1Pr5Tm4]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6519]
_cell_length_b [3.6519]
_cell_length_c [25.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaPr5Tm4]
_chemical_formula_sum '[Ca1 Pr5 Tm4]'
_cell_volume [340.7287]
_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
  Pr  Pr1  2  0.5000  0.5000  0.1105  1
  Pr  Pr2  2  0.5000  0.5000  0.3052  1
  Pr  Pr3  1  0.5000  0.5000  0.5000  1
  Tm  Tm4  2  0.0000  0.0000  0.2062  1
  Tm  Tm5  2  0.0000  0.0000  0.4023  1
]