data_[Ca8Mn4Ga4O20]
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]
_cell_length_a [15.9920]
_cell_length_b [5.3751]
_cell_length_c [5.6174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ca2MnGaO5]
_chemical_formula_sum '[Ca8 Mn4 Ga4 O20]'
_cell_volume [452.3350]
_cell_formula_units_Z [4]
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  0.1090  0.0023  0.6362  1
  Ca  Ca1  4  0.1094  0.4991  0.0809  1
  Mn  Mn2  2  0.0000  0.0133  0.0000  1
  Mn  Mn3  2  0.0000  0.5153  0.5000  1
  Ga  Ga4  4  0.2476  0.4714  0.6797  1
  O  O5  4  0.0166  0.7656  0.2587  1
  O  O6  4  0.0169  0.2592  0.2658  1
  O  O7  4  0.1379  0.5457  0.7044  1
  O  O8  4  0.1485  0.0559  0.0661  1
  O  O9  4  0.2497  0.6183  0.3727  1
]