data_[Li8Ca6P8]
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 [Immm]
_cell_length_a [4.2366]
_cell_length_b [6.6399]
_cell_length_c [13.9456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Ca3P4]
_chemical_formula_sum '[Li8 Ca6 P8]'
_cell_volume [392.3013]
_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
[
  Li  Li0  8  0.0000  0.3037  0.3243  1.0
  Ca  Ca1  4  0.0000  0.5000  0.1292  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.0000  0.2119  1.0
  P  P4  4  0.0000  0.1713  0.5000  1.0
]