data_[Ca1Pm7Y4]
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 [P-1]
_cell_length_a [6.3524]
_cell_length_b [7.3358]
_cell_length_c [9.0498]
_cell_angle_alpha [89.8895]
_cell_angle_beta [76.5454]
_cell_angle_gamma [89.9578]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaPm7Y4]
_chemical_formula_sum '[Ca1 Pm7 Y4]'
_cell_volume [410.1416]
_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  0.0000  1
  Pm  Pm1  2  0.2246  0.9999  0.3406  1
  Pm  Pm2  2  0.2813  0.2532  0.6625  1
  Pm  Pm3  2  0.4997  0.7422  0.0004  1
  Pm  Pm4  1  0.0000  0.5000  0.0000  1
  Y  Y5  2  0.2204  0.4998  0.3325  1
  Y  Y6  2  0.2824  0.7450  0.6636  1
]