data_[Ca2Pm4Y5]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.1557]
_cell_length_b [3.5301]
_cell_length_c [11.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2Pm4Y5]
_chemical_formula_sum '[Ca2 Pm4 Y5]'
_cell_volume [379.8547]
_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  2  0.4513  0.0000  0.8624  1
  Pm  Pm1  2  0.1062  0.5000  0.7735  1
  Pm  Pm2  2  0.2847  0.5000  0.3312  1
  Y  Y3  2  0.1613  0.0000  0.0671  1
  Y  Y4  2  0.3604  0.0000  0.5870  1
  Y  Y5  1  0.0000  0.0000  0.5000  1
]