data_[Mn2Zn6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.7252]
_cell_length_b [3.0247]
_cell_length_c [15.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn(ZnP)3]
_chemical_formula_sum '[Mn2 Zn6 P6]'
_cell_volume [878.8635]
_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  0.0000  0.0000  0.5218  1
  Zn  Zn1  4  0.0758  0.0000  0.1529  1
  Zn  Zn2  2  0.0000  0.0000  0.8883  1
  P  P3  4  0.0995  0.0000  0.0060  1
  P  P4  2  0.0000  0.0000  0.7373  1
]