data_[Li4Ca4Sn4P8]
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
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3815]
_cell_length_b [4.1018]
_cell_length_c [8.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCaSnP2]
_chemical_formula_sum '[Li4 Ca4 Sn4 P8]'
_cell_volume [485.3268]
_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  0.1877  0.5000  0.0583  1
  Ca  Ca1  4  0.1887  0.5000  0.6896  1
  Sn  Sn2  4  0.0596  0.0000  0.1993  1
  P  P3  4  0.1320  0.0000  0.9114  1
  P  P4  4  0.1526  0.5000  0.3461  1
]