data_[Li6Cr1Ni1P2C2O14]
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
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9985]
_cell_length_b [6.4243]
_cell_length_c [8.5768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li6CrNiP2(CO7)2]
_chemical_formula_sum '[Li6 Cr1 Ni1 P2 C2 O14]'
_cell_volume [274.0446]
_cell_formula_units_Z [1]
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  2  0.2734  0.2310  0.7290  1
  Li  Li1  2  0.7202  0.2659  0.2719  1
  Li  Li2  1  0.2016  0.5000  0.1056  1
  Li  Li3  1  0.7988  0.0000  0.8886  1
  Cr  Cr4  1  0.2002  0.0000  0.3349  1
  Ni  Ni5  1  0.7956  0.5000  0.6680  1
  P  P6  1  0.2665  0.5000  0.4149  1
  P  P7  1  0.7342  0.0000  0.5927  1
  C  C8  1  0.3221  0.0000  0.0371  1
  C  C9  1  0.6788  0.5000  0.9554  1
  O  O10  2  0.1599  0.3139  0.3092  1
  O  O11  2  0.8498  0.1886  0.6924  1
  O  O12  1  0.0697  0.0000  0.0533  1
  O  O13  1  0.1630  0.5000  0.5773  1
  O  O14  1  0.4112  0.0000  0.9005  1
  O  O15  1  0.4228  0.0000  0.5828  1
  O  O16  1  0.4921  0.0000  0.1652  1
  O  O17  1  0.5016  0.5000  0.8318  1
  O  O18  1  0.5809  0.5000  0.4359  1
  O  O19  1  0.6026  0.5000  0.0960  1
  O  O20  1  0.8224  0.0000  0.4249  1
  O  O21  1  0.9294  0.5000  0.9302  1
]