data_[Ca1Tb4Pm7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3434]
_cell_length_b [7.3258]
_cell_length_c [9.0396]
_cell_angle_alpha [89.8606]
_cell_angle_beta [76.5927]
_cell_angle_gamma [89.9772]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaTb4Pm7]
_chemical_formula_sum '[Ca1 Tb4 Pm7]'
_cell_volume [408.6268]
_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
  Tb  Tb1  2  0.2198  0.5000  0.3322  1
  Tb  Tb2  2  0.2819  0.7447  0.6636  1
  Pm  Pm3  2  0.2257  0.0002  0.3409  1
  Pm  Pm4  2  0.2827  0.2548  0.6627  1
  Pm  Pm5  2  0.4988  0.7423  0.9996  1
  Pm  Pm6  1  0.0000  0.5000  0.0000  1
]