data_[Zr12Ge2As6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8006]
_cell_length_b [3.8198]
_cell_length_c [7.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr6GeAs3P2]
_chemical_formula_sum '[Zr12 Ge2 As6 P4]'
_cell_volume [479.5071]
_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
[
  Zr  Zr0  4  0.0075  0.0000  0.2534  1.0
  Zr  Zr1  4  0.1696  0.5000  0.1041  1.0
  Zr  Zr2  4  0.1735  0.5000  0.5697  1.0
  Ge  Ge3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1636  0.0000  0.8334  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1672  0.0000  0.3337  1.0
]