data_[Ca24P10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7709]
_cell_length_b [7.3051]
_cell_length_c [8.9988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca12P5N2]
_chemical_formula_sum '[Ca24 P10 N4]'
_cell_volume [993.7243]
_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  8  0.1505  0.2502  0.5722  1.0
  Ca  Ca1  8  0.1631  0.2595  0.0846  1.0
  Ca  Ca2  4  0.0007  0.5000  0.1852  1.0
  Ca  Ca3  4  0.0042  0.0000  0.8223  1.0
  P  P4  4  0.1866  0.5000  0.8385  1.0
  P  P5  4  0.1918  0.5000  0.3495  1.0
  P  P6  2  0.0000  0.0000  0.5000  1.0
  N  N7  4  0.0000  0.2452  0.0000  1.0
]