data_[Li4Cr6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [19.9859]
_cell_length_b [5.7267]
_cell_length_c [5.9437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2(CrP)3]
_chemical_formula_sum '[Li4 Cr6 P6]'
_cell_volume [680.2834]
_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  4  0.3987  0.4158  0.8678  1
  Cr  Cr1  4  0.4371  0.0546  0.2250  1
  Cr  Cr2  2  0.5000  0.2417  0.5413  1
  P  P3  4  0.3753  0.1855  0.5172  1
  P  P4  2  0.5000  0.3733  0.1447  1
]