data_[Ca2Pm8Te10]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.9952]
_cell_length_b [9.9952]
_cell_length_c [6.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [CaPm4Te5]
_chemical_formula_sum '[Ca2 Pm8 Te10]'
_cell_volume [631.8230]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Pm  Pm1  8  0.0985  0.3024  0.5000  1
  Te  Te2  8  0.0993  0.2957  0.0000  1
  Te  Te3  2  0.0000  0.0000  0.5000  1
]