data_[Mn1Tl2Ga1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3897]
_cell_length_b [5.4743]
_cell_length_c [5.5620]
_cell_angle_alpha [61.6587]
_cell_angle_beta [89.7695]
_cell_angle_gamma [61.9189]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTl2GaO6]
_chemical_formula_sum '[Mn1 Tl2 Ga1 O6]'
_cell_volume [122.2396]
_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
[
  Mn  Mn0  1  0.8154  0.3731  0.4458  1.0
  Tl  Tl1  1  0.0366  0.9181  0.1208  1.0
  Tl  Tl2  1  0.5448  0.9123  0.6213  1.0
  Ga  Ga3  1  0.3127  0.3703  0.9415  1.0
  O  O4  1  0.0763  0.4571  0.2227  1.0
  O  O5  1  0.1976  0.8263  0.7481  1.0
  O  O6  1  0.4425  0.8988  0.2110  1.0
  O  O7  1  0.5938  0.2346  0.7237  1.0
  O  O8  1  0.6822  0.2319  0.2350  1.0
  O  O9  1  0.9599  0.4545  0.7150  1.0
]