data_GaMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   149.95
_cell_angle_beta   137.51
_cell_angle_gamma   52.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMo2Se
_chemical_formula_sum   'Ga1 Mo2 Se1'
_cell_volume   66.69
_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
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Mo  Mo1  1  0.0  0.11  0.98  1.0
  Mo  Mo2  1  0.0  0.0  0.71  1.0
  Se  Se3  1  0.0  0.11  0.4  1.0

data_GaMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.23
_cell_length_c   5.83
_cell_angle_alpha   111.25
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaMo2Se
_chemical_formula_sum   'Ga1 Mo2 Se1'
_cell_volume   66.69
_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
  Ga  Ga0  1  0.0  0.57  0.57  1.0
  Mo  Mo1  1  0.0  0.71  0.71  1.0
  Mo  Mo2  1  0.89  0.87  0.87  1.0
  Se  Se3  1  0.89  0.28  0.28  1.0

Ga Mo Mo Se