data_Y2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   130.81
_cell_angle_beta   115.2
_cell_angle_gamma   85.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GeAs
_chemical_formula_sum   'Y2 Ge1 As1'
_cell_volume   95.07
_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
  Y  Y2  1  0.0  0.82  0.91  1.0
  Y  Y3  1  0.19  0.0  0.95  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.86  1.0

data_Y2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   64.8
_cell_angle_beta   65.41
_cell_angle_gamma   65.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GeAs
_chemical_formula_sum   'Y2 Ge1 As1'
_cell_volume   95.07
_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
  Y  Y0  1  0.0  0.81  0.95  1.0
  Y  Y1  1  0.82  -0.0  0.09  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.86  1.0

Y Y Ge As