data_[Ca1Tl1Bi1Pt1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4854]
_cell_length_b [3.8900]
_cell_length_c [5.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaTlBiPtN]
_chemical_formula_sum '[Ca1 Tl1 Bi1 Pt1 N1]'
_cell_volume [117.5292]
_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  0.7382  0.0000  0.2975  1
  Tl  Tl1  1  0.3115  0.5000  0.4357  1
  Bi  Bi2  1  0.1374  0.0000  0.8687  1
  Pt  Pt3  1  0.7526  0.5000  0.8355  1
  N  N4  1  0.8959  0.5000  0.1963  1
]