data_[Ca4Pm4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5002]
_cell_length_b [7.2378]
_cell_length_c [6.7761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaPmCo]
_chemical_formula_sum '[Ca4 Pm4 Co4]'
_cell_volume [339.6574]
_cell_formula_units_Z [4]
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  4  0.2025  0.6824  0.0170  1
  Pm  Pm1  4  0.3269  0.1763  0.9571  1
  Co  Co2  4  0.4721  0.5404  0.8218  1
]