data_[Ca1Pm2Ta1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.4128]
_cell_length_b [5.4128]
_cell_length_c [5.3540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaPm2TaO6]
_chemical_formula_sum '[Ca1 Pm2 Ta1 O6]'
_cell_volume [156.8648]
_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  0.5000  0.5000  0.5466  1
  Pm  Pm1  2  0.0000  0.5000  0.9960  1
  Ta  Ta2  1  0.0000  0.0000  0.5850  1
  O  O3  4  0.2338  0.2338  0.7405  1
  O  O4  1  0.0000  0.0000  0.2288  1
  O  O5  1  0.5000  0.5000  0.1326  1
]