data_[Li4Ca12P4]
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 [Cc]
_cell_length_a [7.9017]
_cell_length_b [12.5008]
_cell_length_c [7.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiCa3P]
_chemical_formula_sum '[Li4 Ca12 P4]'
_cell_volume [617.0451]
_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  0.4997  0.2579  0.4485  1
  Ca  Ca1  4  0.1070  0.2912  0.4779  1
  Ca  Ca2  4  0.2526  0.0265  0.0710  1
  Ca  Ca3  4  0.2913  0.4288  0.9893  1
  P  P4  4  0.4833  0.3912  0.7160  1
]