data_[Mg1Cr2P2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1253]
_cell_length_b [5.3704]
_cell_length_c [7.0623]
_cell_angle_alpha [109.4343]
_cell_angle_beta [108.8538]
_cell_angle_gamma [93.5610]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgCr2(PO5)2]
_chemical_formula_sum '[Mg1 Cr2 P2 O10]'
_cell_volume [170.3159]
_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
[
  Mg  Mg0  1  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3616  0.6467  0.2322  1.0
  O  O4  2  0.0442  0.8826  0.7278  1.0
  O  O5  2  0.2352  0.7318  0.4146  1.0
  O  O6  2  0.2499  0.3514  0.0856  1.0
  O  O7  2  0.3119  0.8455  0.1137  1.0
  O  O8  2  0.3131  0.3213  0.6580  1.0
]