data_[Pm2Cu1P1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.2063]
_cell_length_b [5.2063]
_cell_length_c [4.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Pm2CuPO6]
_chemical_formula_sum '[Pm2 Cu1 P1 O6]'
_cell_volume [124.9483]
_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
[
  Pm  Pm0  2  0.0000  0.5000  0.0314  1
  Cu  Cu1  1  0.5000  0.5000  0.5196  1
  P  P2  1  0.0000  0.0000  0.6192  1
  O  O3  4  0.2194  0.2194  0.7156  1
  O  O4  1  0.0000  0.0000  0.2716  1
  O  O5  1  0.5000  0.5000  0.1110  1
]