data_[Ca1Pm2As1O8]
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
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3285]
_cell_length_b [5.3285]
_cell_length_c [6.4688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CaPm2AsO8]
_chemical_formula_sum '[Ca1 Pm2 As1 O8]'
_cell_volume [159.0628]
_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  0.5000  1
  Pm  Pm1  2  0.3333  0.6667  0.8664  1
  As  As2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1622  0.3244  0.1643  1
  O  O4  2  0.3333  0.6667  0.5209  1
]