data_[Ca2P10]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7816]
_cell_length_b [9.7478]
_cell_length_c [5.4866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaP5]
_chemical_formula_sum '[Ca2 P10]'
_cell_volume [247.5019]
_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  2  0.0621  0.2500  0.3752  1.0
  P  P1  4  0.3121  0.5587  0.4109  1.0
  P  P2  4  0.3760  0.5922  0.0287  1.0
  P  P3  2  0.2795  0.2500  0.9195  1.0
]