data_[Ca1Mn2Sb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [5.3118]
_cell_length_b [5.3878]
_cell_length_c [5.8265]
_cell_angle_alpha [62.7668]
_cell_angle_beta [64.5641]
_cell_angle_gamma [61.7722]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaMn2SbO6]
_chemical_formula_sum '[Ca1 Mn2 Sb1 O6]'
_cell_volume [125.7091]
_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
[
  Ca  Ca0  1  0.8063  0.8078  0.5919  1.0
  Mn  Mn1  1  0.0176  0.0065  0.9684  1.0
  Mn  Mn2  1  0.5298  0.5319  0.4153  1.0
  Sb  Sb3  1  0.3257  0.3260  0.0324  1.0
  O  O4  1  0.1325  0.3589  0.7777  1.0
  O  O5  1  0.2230  0.9469  0.2251  1.0
  O  O6  1  0.3801  0.7066  0.7562  1.0
  O  O7  1  0.5787  0.2296  0.2516  1.0
  O  O8  1  0.7178  0.1386  0.7819  1.0
  O  O9  1  0.9500  0.6087  0.2148  1.0
]