data_[Mg2Zn2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.7360]
_cell_length_b [4.0048]
_cell_length_c [9.3204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MgZnP2]
_chemical_formula_sum '[Mg2 Zn2 P4]'
_cell_volume [139.4502]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.2573  1
  Zn  Zn1  2  0.0000  0.0000  0.4951  1
  P  P2  2  0.0000  0.0000  0.0505  1
  P  P3  2  0.0000  0.5000  0.6971  1
]