data_[Zr1Mn2Sb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3149]
_cell_length_b [5.4889]
_cell_length_c [5.7896]
_cell_angle_alpha [62.5387]
_cell_angle_beta [66.0439]
_cell_angle_gamma [63.8558]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrMn2SbO6]
_chemical_formula_sum '[Zr1 Mn2 Sb1 O6]'
_cell_volume [130.1018]
_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
[
  Zr  Zr0  1  0.1943  0.1778  0.4449  1
  Mn  Mn1  1  0.4726  0.5008  0.5415  1
  Mn  Mn2  1  0.9802  0.9618  0.0783  1
  Sb  Sb3  1  0.7229  0.6543  0.9045  1
  O  O4  1  0.0987  0.7806  0.7467  1
  O  O5  1  0.2731  0.5728  0.2707  1
  O  O6  1  0.3512  0.1611  0.7330  1
  O  O7  1  0.5663  0.8760  0.3086  1
  O  O8  1  0.7796  0.3526  0.7389  1
  O  O9  1  0.8996  0.3006  0.2176  1
]