data_[Ca2Pm4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1696]
_cell_length_b [4.7228]
_cell_length_c [11.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca(PmCu)2]
_chemical_formula_sum '[Ca2 Pm4 Cu4]'
_cell_volume [271.7119]
_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  0.2961  0.2500  0.7653  1
  Pm  Pm1  2  0.1647  0.2500  0.1116  1
  Pm  Pm2  2  0.2552  0.7500  0.5042  1
  Cu  Cu3  2  0.2040  0.2500  0.3643  1
  Cu  Cu4  2  0.3744  0.7500  0.9948  1
]