data_[Cr2Mo2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5445]
_cell_length_b [2.9558]
_cell_length_c [6.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrMoP]
_chemical_formula_sum '[Cr2 Mo2 P2]'
_cell_volume [82.5498]
_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
[
  Cr  Cr0  1  0.2546  0.0000  0.2354  1
  Cr  Cr1  1  0.4374  0.5000  0.9310  1
  Mo  Mo2  1  0.7165  0.5000  0.4222  1
  Mo  Mo3  1  0.9402  0.0000  0.7887  1
  P  P4  1  0.3818  0.0000  0.6091  1
  P  P5  1  0.7616  0.0000  0.1230  1
]