data_[Ca2Pm1Pa1Bi4]
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
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9056]
_cell_length_b [4.5979]
_cell_length_c [7.9115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2PmPaBi4]
_chemical_formula_sum '[Ca2 Pm1 Pa1 Bi4]'
_cell_volume [271.2979]
_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  0.5000  0.0000  0.5000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Pm  Pm2  1  0.0000  0.5000  0.5000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  Bi  Bi4  2  0.2371  0.5000  0.2378  1
  Bi  Bi5  2  0.2408  0.0000  0.7568  1
]