data_[Ca12Sb4As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4870]
_cell_length_b [7.8977]
_cell_length_c [13.0271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Sb2AsP]
_chemical_formula_sum '[Ca12 Sb4 As2 P2]'
_cell_volume [629.8595]
_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  4  0.1293  0.6982  0.4403  1.0
  Ca  Ca1  4  0.2466  0.1924  0.4418  1.0
  Ca  Ca2  4  0.3646  0.5509  0.2471  1.0
  Sb  Sb3  4  0.2298  0.5701  0.7505  1.0
  As  As4  2  0.5000  0.0000  0.0000  1.0
  P  P5  2  0.0000  0.0000  0.5000  1.0
]