data_[Ca24As10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1480]
_cell_length_b [7.4177]
_cell_length_c [9.1811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca12As5N2]
_chemical_formula_sum '[Ca24 As10 N4]'
_cell_volume [1054.8166]
_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  0.1510  0.2491  0.5738  1.0
  Ca  Ca1  8  0.1602  0.2558  0.0812  1.0
  Ca  Ca2  4  0.0010  0.5000  0.1796  1.0
  Ca  Ca3  4  0.0033  0.0000  0.8265  1.0
  As  As4  4  0.1860  0.5000  0.8369  1.0
  As  As5  4  0.1913  0.5000  0.3493  1.0
  As  As6  2  0.0000  0.0000  0.5000  1.0
  N  N7  4  0.0000  0.2469  0.0000  1.0
]