data_[Pm10Zr2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2241]
_cell_length_b [12.5032]
_cell_length_c [7.2240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm5ZrAs6]
_chemical_formula_sum '[Pm10 Zr2 As12]'
_cell_volume [614.9941]
_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
[
  Pm  Pm0  4  0.0000  0.1698  0.5000  1
  Pm  Pm1  4  0.0000  0.3344  0.0000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Zr  Zr3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2401  0.1603  0.2407  1
  As  As5  4  0.2384  0.0000  0.7563  1
]