data_[Mn6Zn1P4]
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 [P-6m2]
_cell_length_a [6.8664]
_cell_length_b [6.8664]
_cell_length_c [3.2741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mn6ZnP4]
_chemical_formula_sum '[Mn6 Zn1 P4]'
_cell_volume [133.6862]
_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
[
  Mn  Mn0  3  0.2037  0.4074  0.0000  1.0
  Mn  Mn1  3  0.2713  0.1356  0.5000  1.0
  Zn  Zn2  1  0.6667  0.3333  0.0000  1.0
  P  P3  3  0.0328  0.5164  0.5000  1.0
  P  P4  1  0.0000  0.0000  0.0000  1.0
]