data_[Ca2Pm6Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2170]
_cell_length_b [9.3930]
_cell_length_c [6.7789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaPm3Ga2]
_chemical_formula_sum '[Ca2 Pm6 Ga4]'
_cell_volume [332.1888]
_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  0.5000  0.4581  0.5126  1
  Pm  Pm1  2  0.0000  0.0401  0.4914  1
  Pm  Pm2  2  0.0000  0.3328  0.8008  1
  Pm  Pm3  2  0.5000  0.1737  0.1980  1
  Ga  Ga4  2  0.0000  0.3413  0.2684  1
  Ga  Ga5  2  0.5000  0.1540  0.7287  1
]