data_[Ca4Mn4Ga2O12]
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
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7087]
_cell_length_b [9.0923]
_cell_length_c [5.7941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Mn2GaO6]
_chemical_formula_sum '[Ca4 Mn4 Ga2 O12]'
_cell_volume [279.1999]
_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
[
  Ca  Ca0  4  0.0000  0.1746  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3364  0.5000  1.0
  Ga  Ga2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.2094  0.1686  0.7173  1.0
  O  O4  4  0.2407  0.0000  0.3070  1.0
]