data_[Mn2Ni2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5814]
_cell_length_b [3.1097]
_cell_length_c [4.2717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnNiP2]
_chemical_formula_sum '[Mn2 Ni2 P4]'
_cell_volume [97.7828]
_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
[
  Mn  Mn0  2  0.0214  0.5000  0.6319  1
  Ni  Ni1  2  0.2431  0.5000  0.2221  1
  P  P2  2  0.0051  0.0000  0.0341  1
  P  P3  2  0.2304  0.0000  0.6119  1
]