data_[Mn1Ga1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6458]
_cell_length_b [5.0600]
_cell_length_c [18.4564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [104.3004]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnGaSe3]
_chemical_formula_sum '[Mn1 Ga1 Se3]'
_cell_volume [329.9269]
_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  0.9201  0.6608  0.4910  1
  Ga  Ga1  1  0.7600  0.1672  0.5810  1
  Se  Se2  1  0.4008  0.6232  0.5883  1
  Se  Se3  1  0.4110  0.6510  0.4010  1
  Se  Se4  1  0.8660  0.1309  0.4388  1
]