data_[Li8Ca4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1514]
_cell_length_b [4.0628]
_cell_length_c [11.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li2CaP]
_chemical_formula_sum '[Li8 Ca4 P4]'
_cell_volume [320.7396]
_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
[
  Li  Li0  4  0.0938  0.2500  0.1108  1.0
  Li  Li1  4  0.1226  0.2500  0.5349  1.0
  Ca  Ca2  4  0.2410  0.7500  0.3084  1.0
  P  P3  4  0.0560  0.7500  0.6661  1.0
]