data_[Ca4As4P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.5453]
_cell_length_b [9.6359]
_cell_length_c [5.7106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CaAsP]
_chemical_formula_sum '[Ca4 As4 P4]'
_cell_volume [276.8167]
_cell_formula_units_Z [4]
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  0.3073  0.1317  0.0051  1.0
  As  As1  4  0.4023  0.3930  0.7346  1.0
  P  P2  4  0.2130  0.3907  0.2767  1.0
]